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[1]

K. Ahmadzadeh *et al.*, "Toward Accurate Two-Photon Absorption Spectrum Simulations: Exploring the Landscape beyond the Generalized Gradient Approximation," *Journal of Physical Chemistry Letters*, vol. 15, no. 4, pp. 969-974, 2024.

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N. N. T. Minh *et al.*, "Binding of a Pyrene-Based Fluorescent Amyloid Ligand to Transthyretin : A Combined Crystallographic and Molecular Dynamics Study," *Journal of Physical Chemistry B*, vol. 127, no. 30, pp. 6628-6635, 2023.

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L. Björk *et al.*, "Distinct Heterocyclic Moieties Govern the Selectivity of Thiophene‐Vinylene‐Based Ligands towards Aβ or Tau Pathology in Alzheimer's Disease," *European Journal of Organic Chemistry*, vol. 26, no. 41, pp. e202300583, 2023.

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M. Brand *et al.*, "Efficient and Parallel Implementation of Real and Complex Response Functions Employing the Second-Order Algebraic-Diagrammatic Construction Scheme for the Polarization Propagator," *Journal of Chemical Theory and Computation*, vol. 20, no. 1, pp. 103-113, 2023.

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K. Arja *et al.*, "Self-Assembly of Chiro-Optical Materials from Nonchiral Oligothiophene-Porphyrin Derivatives and Random Coil Synthetic Peptides," *ChemPlusChem*, vol. 88, no. 1, 2023.

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D. H. De Oliveira *et al.*, "Silk Assembly against Hydrophobic Surfaces?Modeling and Imaging of Formation of Nanofibrils," *ACS Applied Bio Materials*, vol. 6, no. 3, pp. 1011-1018, 2023.

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M. Scheurer *et al.*, "Solving response expressions in the ADC/ISR framework," *Journal of Chemical Physics*, vol. 158, no. 8, pp. 084105, 2023.

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M. Gonzalez-Sanchez *et al.*, "Stacked or Folded? : Impact of Chelate Cooperativity on the Self-Assembly Pathway to Helical Nanotubes from Dinucleobase Monomers," *Journal of the American Chemical Society*, vol. 145, no. 32, pp. 17805-17818, 2023.

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T. Fransson *et al.*, "eChem : A Notebook Exploration of Quantum Chemistry," *Journal of Chemical Education*, vol. 100, no. 4, pp. 1664-1671, 2023.

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K. Ahmadzadeh *et al.*, "Efficient Kohn-Sham density-functional theory implementation of isotropic spectroscopic observables associated with quadratic response functions," *Electronic Structure*, vol. 4, no. 4, 2022.

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A. E. Hillers-Bendtsen *et al.*, "Modeling Absorption and Emission Spectroscopies of Symmetric and Asymmetric Azaoxahelicenes in Vacuum and Solution," *Journal of Physical Chemistry A*, vol. 126, no. 37, pp. 6467-6472, 2022.

[12]

M. Brand and P. Norman, "Nontrivial spectral band progressions in electronic circular dichroism spectra of carbohelicenes revealed by linear response calculations," *Physical Chemistry, Chemical Physics - PCCP*, vol. 24, no. 32, pp. 19321-19332, 2022.

[13]

G. L. S. Rodrigues *et al.*, "Simulations of x-ray absorption spectra for CO desorbing from Ru(0001) with transition-potential and time-dependent density functional theory approaches," *Structural Dynamics*, vol. 9, no. 1, 2022.

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M. Scott *et al.*, "Ab Initio Excited-State Electronic Circular Dichroism Spectra Exploiting the Third-Order Algebraic-Diagrammatic Construction Scheme for the Polarization Propagator," *Journal of Physical Chemistry Letters*, vol. 12, no. 21, pp. 5132-5137, 2021.

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I. E. Brumboiu *et al.*, "Analytical gradients for core-excited states in the algebraic diagrammatic construction (ADC) framework," *Journal of Chemical Physics*, vol. 155, no. 4, 2021.

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C. Gustafsson *et al.*, "Deciphering the Electronic Transitions of Thiophene-Based Donor-Acceptor-Donor Pentameric Ligands Utilized for Multimodal Fluorescence Microscopy of Protein Aggregates," *ChemPhysChem*, vol. 22, no. 3, pp. 323-335, 2021.

[17]

K. Ahmadzadeh *et al.*, "Efficient implementation of isotropic cubic response functions for two-photon absorption cross sections within the self-consistent field approximation," *Journal of Chemical Physics*, vol. 154, no. 2, 2021.

[18]

M. Scott *et al.*, "Electronic circular dichroism spectra using the algebraic diagrammatic construction schemes of the polarization propagator up to third order," *Journal of Chemical Physics*, vol. 154, no. 6, 2021.

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D. R. Rehn *et al.*, "Gator : A Python-driven program for spectroscopy simulations using correlated wave functions," *Wiley Interdisciplinary Reviews. Computational Molecular Science*, vol. 11, no. 6, 2021.

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V. Savchenko *et al.*, "Hydrogen bond effects in multimode nuclear dynamics of acetic acid observed via resonant x-ray scattering," *Journal of Chemical Physics*, vol. 154, no. 21, 2021.

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L. Zhang *et al.*, "Naphthodithiophene Diimide Based Chiral π-Conjugated Nanopillar Molecules," *Angewandte Chemie International Edition*, vol. 60, no. 46, pp. 24543-24548, 2021.

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M. Brand *et al.*, "Size-dependent polarizabilities and van der Waals dispersion coefficients of fullerenes from large-scale complex polarization propagator calculations," *Journal of Chemical Physics*, vol. 154, no. 7, 2021.

[23]

Y. Todarwal *et al.*, "Tau Protein Binding Modes in Alzheimer's Disease for Cationic Luminescent Ligands," *Journal of Physical Chemistry B*, vol. 125, no. 42, pp. 11628-11636, 2021.

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V. Savchenko *et al.*, "Vibrational resonant inelastic X-ray scattering in liquid acetic acid : a ruler for molecular chain lengths," *Scientific Reports*, vol. 11, no. 1, 2021.

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T. Fransson *et al.*, "XABOOM : An X-ray Absorption Benchmark of Organic Molecules Based on Carbon, Nitrogen, and Oxygen 1s -> pi* Transitions," *Journal of Chemical Theory and Computation*, vol. 17, no. 3, pp. 1618-1637, 2021.

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M. Scheurer *et al.*, "Complex excited state polarizabilities in the ADC/ISR framework," *Journal of Chemical Physics*, vol. 153, no. 7, 2020.

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J. M. H. Olsen *et al.*, "Dalton Project : A Python platform for molecular- and electronic-structure simulations of complex systems," *Journal of Chemical Physics*, vol. 152, no. 21, 2020.

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T. M. Cooper *et al.*, "Nanoscale Organization of a Platinum(II) Acetylide Cholesteric Liquid Crystal Molecular Glass for Photonics Applications," *Advanced Functional Materials*, vol. 30, no. 28, 2020.

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N. H. List *et al.*, "Probing competing relaxation pathways in malonaldehyde with transient X-ray absorption spectroscopy," *Chemical Science*, vol. 11, no. 16, pp. 4180-4193, 2020.

[30]

C. Gustafsson, M. Linares and P. Norman, "Quantum Mechanics/Molecular Mechanics Density Functional Theory Simulations of the Optical Properties Fingerprinting the Ligand-Binding of Pentameric Formyl Thiophene Acetic Acid in Annyloid-beta(1-42)," *Journal of Physical Chemistry A*, vol. 124, no. 5, pp. 875-888, 2020.

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M. Back *et al.*, "Tyrosine Side-Chain Functionalities at Distinct Positions Determine the Chirooptical Properties and Supramolecular Structures of Pentameric Oligothiophenes," *ChemistryOpen*, vol. 9, no. 11, pp. 1100-1108, 2020.

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M. Hodecker *et al.*, "Algebraic-diagrammatic construction scheme for the polarization propagator including ground-state coupled-cluster amplitudes. II. Static polarizabilities," *Journal of Chemical Physics*, vol. 150, no. 17, 2019.

[33]

I. Brumboiu, O. Eriksson and P. Norman, "Atomic photoionization cross sections beyond the electric dipole approximation," *Journal of Chemical Physics*, vol. 150, no. 4, 2019.

[34]

M. Linares *et al.*, "Elucidating DNA binding of dithienylethenes from molecular dynamics and dichroism spectra," *Physical Chemistry, Chemical Physics - PCCP*, vol. 21, no. 7, pp. 3637-3643, 2019.

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T. D. Cornelissen *et al.*, "Kinetic Monte Carlo simulations of organic ferroelectrics," *Physical Chemistry, Chemical Physics - PCCP*, vol. 21, no. 3, pp. 1375-1383, 2019.

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H. Sun *et al.*, "Molecular Dynamic of Various DNA Sequences Binding of Dithienylethenest," *Gaodeng xuéxiào huàxué xuébào*, vol. 40, no. 6, pp. 1229-1235, 2019.

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V. V. da Cruz *et al.*, "Nuclear dynamics in resonant inelastic X-ray scattering and X-ray absorption of methanol," *Journal of Chemical Physics*, vol. 150, no. 23, 2019.

[38]

I. E. Brumboiu, O. Eriksson and P. Norman, "Photoelectron Spectroscopy of Molecules Beyond the Electric Dipole Approximation," *Journal of Chemical Theory and Computation*, vol. 15, no. 10, pp. 5483-5494, 2019.

[39]

I. Urbanaviciute *et al.*, "Suppressing depolarization by tail substitution in an organic supramolecular ferroelectric," *Physical Chemistry, Chemical Physics - PCCP*, vol. 21, no. 4, pp. 2069-2079, 2019.

[40]

Z. Rinkevicius *et al.*, "VeloxChem : A Python-driven density-functional theory program for spectroscopy simulations in high-performance computing environments," *Wiley Interdisciplinary Reviews. Computational Molecular Science*, 2019.

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D. Madsen *et al.*, "Vibrationally resolved emission spectra of luminescent conjugated oligothiophenes from anharmonic calculations," *Physical Chemistry, Chemical Physics - PCCP*, vol. 21, no. 31, pp. 17410-17422, 2019.

[42]

I. Zhovtobriukh, P. Norman and L. G. M. Pettersson, "X-ray absorption spectrum simulations of hexagonal ice," *Journal of Chemical Physics*, vol. 150, no. 3, 2019.

[43]

T. Fahleson *et al.*, "A QM/MM and QM/QM/MM study of Kerr, Cotton-Mouton and Jones linear birefringences in liquid acetonitrile," *Physical Chemistry, Chemical Physics - PCCP*, vol. 20, no. 5, pp. 3831-3840, 2018.

[44]

J. Rubio-Magnieto *et al.*, "Binding Modes and Selectivity of Ruthenium Complexes to Human Telomeric DNA G-Quadruplexes," *Chemistry - A European Journal*, vol. 24, no. 58, pp. 15577-15588, 2018.

[45]

C. König *et al.*, "Binding sites for luminescent amyloid biomarkers from non-biased molecular dynamics simulations," *Chemical Communications*, vol. 54, no. 24, pp. 3030-3033, 2018.

[46]

P. Norman and A. Dreuw, "Simulating X-ray Spectroscopies and Calculating Core-Excited States of Molecules," *Chemical Reviews*, vol. 118, no. 15, pp. 7208-7248, 2018.

[47]

N. Holmgaard List *et al.*, "A quantum-mechanical perspective on linear response theory within polarizable embedding," *Journal of Chemical Physics*, vol. 146, no. 23, 2017.

[48]

M. S. Nørby *et al.*, "Assessing frequency-dependent site polarisabilities in linear response polarisable embedding," *Molecular Physics*, vol. 115, pp. 39-47, 2017.

[49]

R. Selegard *et al.*, "Distinct Electrostatic Interactions Govern the Chiro-Optical Properties and Architectural Arrangement of Peptide-Oligothiophene Hybrid Materials," *Macromolecules*, vol. 50, no. 18, pp. 7102-7110, 2017.

[50]

L. Martinez-Fernandez *et al.*, "Optical absorption and magnetic circular dichroism spectra of thiouracils : a quantum mechanical study in solution," *Photochemical and Photobiological Sciences*, vol. 16, no. 9, pp. 1415-1423, 2017.

[51]

N. Holmgaard List *et al.*, "Origin of DNA-Induced Circular Dichroism in a Minor-Groove Binder," *Journal of the American Chemical Society*, vol. 139, no. 42, pp. 14947-14953, 2017.

[52]

D. R. Rehn, A. Dreuw and P. Norman, "Resonant Inelastic X-ray Scattering Amplitudes and Cross Sections in the Algebraic Diagrammatic Construction/Intermediate State Representation (ADC/ISR) Approach," *Journal of Chemical Theory and Computation*, vol. 13, no. 11, pp. 5552-5559, 2017.

[53]

T. Fahleson and P. Norman, "Resonant-convergent second-order nonlinear response functions at the levels of Hartree-Fock and Kohn-Sham density functional theory," *Journal of Chemical Physics*, vol. 147, no. 14, 2017.

[54]

N. H. List, T. Saue and P. Norman, "Rotationally averaged linear absorption spectra beyond the electric-dipole approximation," *Molecular Physics*, vol. 115, pp. 63-74, 2017.

[55]

T. Fransson *et al.*, "Static polarizabilities and C-6 dispersion coefficients using the algebraic-diagrammatic construction scheme for the complex polarization propagator," *Journal of Chemical Physics*, vol. 146, no. 9, 2017.

[56]

T. Fahleson, H. Ågren and P. Norman, "A Polarization Propagator for Nonlinear X-ray Spectroscopies," *Journal of Physical Chemistry Letters*, vol. 7, no. 11, pp. 1991-1995, 2016.

[57]

J. Cukras *et al.*, "A complex-polarization-propagator protocol for magneto-chiral axial dichroism and birefringence dispersion," *Physical Chemistry, Chemical Physics - PCCP*, vol. 18, no. 19, pp. 13267-13279, 2016.

[58]

T. Fransson, T. Saue and P. Norman, "Four-Component Damped Density Functional Response Theory Study of UV/Vis Absorption Spectra and Phosphorescence Parameters of Group 12 Metal-Substituted Porphyrins," *Journal of Chemical Theory and Computation*, vol. 12, no. 5, pp. 2324-2334, 2016.

[59]

Z. Rinkevicius *et al.*, "Hybrid Complex Polarization Propagator/Molecular Mechanics Method for Heterogeneous Environments," *Journal of Chemical Theory and Computation*, vol. 12, no. 6, pp. 2661-2667, 2016.

[60]

T. Fransson, D. Burdakova and P. Norman, "K- and L-edge X-ray absorption spectrum calculations of closed-shell carbon, silicon, germanium, and sulfur compounds using damped four-component density functional response theory," *Physical Chemistry, Chemical Physics - PCCP*, vol. 18, no. 19, pp. 13591-13603, 2016.

[61]

W. A. Saidi and P. Norman, "Polarizabilities and van der Waals C-6 coefficients of fullerenes from an atomistic electrodynamics model : Anomalous scaling with number of carbon atoms," *Journal of Chemical Physics*, vol. 145, no. 2, 2016.

[62]

T. Fransson *et al.*, "Requirements of first-principles calculations of X-ray absorption spectra of liquid water," *Physical Chemistry, Chemical Physics - PCCP*, vol. 18, no. 1, pp. 566-583, 2016.

[63]

R. L. Birke *et al.*, "Surface-Enhanced Raman Scattering Due to Charge-Transfer Resonances : A Time-Dependent Density Functional Theory Study of Ag13-4-Mercaptopyridine," *The Journal of Physical Chemistry C*, vol. 120, no. 37, pp. 20721-20735, 2016.

[64]

H. Shirani *et al.*, "A Palette of Fluorescent Thiophene-Based Ligands for the Identification of Protein Aggregates," *Chemistry - A European Journal*, vol. 21, no. 43, pp. 15133-15137, 2015.

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N. H. List *et al.*, "Beyond the electric-dipole approximation : A formulation and implementation of molecular response theory for the description of absorption of electromagnetic field radiation," *Journal of Chemical Physics*, vol. 142, no. 24, 2015.

[66]

J. Rubio-Magnieto *et al.*, "Binding modes of a core-extended metalloporphyrin to human telomeric DNA G-quadruplexes," *Organic and biomolecular chemistry*, vol. 13, no. 8, pp. 2453-2463, 2015.

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C. Oliveras-González *et al.*, "Bottom-Up Hierarchical Self-Assembly of Chiral Porphyrins through Coordination and Hydrogen Bonds," *Journal of the American Chemical Society*, vol. 137, no. 50, pp. 15795-15808, 2015.

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F. Di Meo *et al.*, "DNA electronic circular dichroism on the inter-base pair scale : An experimental-theoretical case study of the at homo-oligonucleotide," *Journal of Physical Chemistry Letters*, vol. 6, no. 3, pp. 355-359, 2015.

[69]

O. Falklöf, B. Durbeej and P. Norman, "Inter-Excited-State Phosphorescence in the Four-Component Relativistic Kohn-Sham Approximation : A Case Study on Lumiflavin," *Journal of Physical Chemistry A*, vol. 119, no. 49, pp. 11911-11921, 2015.

[70]

P. Norman *et al.*, "Predicting near-UV electronic circular dichroism in nucleosomal DNA by means of DFT response theory," *Physical Chemistry, Chemical Physics - PCCP*, vol. 17, no. 34, pp. 21866-21879, 2015.

[71]

J. Elm, P. Norman and K. V. Mikkelsen, "Rayleigh light scattering properties of atmospheric molecular clusters consisting of sulfuric acid and bases," *Physical Chemistry, Chemical Physics - PCCP*, vol. 17, no. 24, pp. 15701-15709, 2015.

[72]

B. F. Milne and P. Norman, "Resonant-convergent PCM response theory for the calculation of second harmonic generation in makaluvamines A-V : Pyrroloiminoquinone marine natural products from poriferans of genus Zyzzya," *Journal of Physical Chemistry A*, vol. 119, no. 21, pp. 5368-5376, 2015.

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T. Fahleson *et al.*, "TD-DFT investigation of the magnetic circular dichroism spectra of some purine and pyrimidine bases of nucleic acids," *Journal of Physical Chemistry A*, vol. 119, no. 21, pp. 5476-5489, 2015.

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J. Sjöqvist *et al.*, "A combined MD/QM and experimental exploration of conformational richness in branched oligothiophenes," *Physical Chemistry, Chemical Physics - PCCP*, vol. 16, no. 45, pp. 24841-24852, 2014.

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J. Elm *et al.*, "Computational study of the Rayleigh light scattering properties of atmospheric pre-nucleation clusters," *Physical Chemistry, Chemical Physics - PCCP*, vol. 16, no. 22, pp. 10883-10890, 2014.

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M. N. Pedersen *et al.*, "Damped response theory in combination with polarizable environments : The polarizable embedding complex polarization propagator method," *Journal of Chemical Theory and Computation*, vol. 10, no. 3, pp. 1164-1171, 2014.

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J. Kauczor and P. Norman, "Efficient calculations of molecular linear response properties for spectral regions," *Journal of Chemical Theory and Computation*, vol. 10, no. 6, pp. 2449-2455, 2014.

[78]

J. Vaara *et al.*, "Nuclear spin circular dichroism," *Journal of Chemical Physics*, vol. 140, no. 13, 2014.

[79]

P. Norman and M. Linares, "On the interplay between chirality and exciton coupling : A DFT calculation of the circular dichroism in π-stacked ethylene," *Chirality*, vol. 26, no. 9, pp. 483-489, 2014.

[80]

W. A. Saidi and P. Norman, "Probing single-walled carbon nanotube defect chemistry using resonance Raman spectroscopy," *Carbon*, vol. 67, pp. 17-26, 2014.

[81]

J. Sjöqvist *et al.*, "QM/MM-MD simulations of conjugated polyelectrolytes : A study of luminescent conjugated oligothiophenes for use as biophysical probes," *Journal of Physical Chemistry A*, vol. 118, no. 19, pp. 3419-3428, 2014.

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F. Santoro *et al.*, "Relative stability of the La and Lb excited states in adenine and guanine : Direct evidence from TD-DFT calculations of MCD spectra," *Journal of Physical Chemistry Letters*, vol. 5, no. 11, pp. 1806-1811, 2014.

[83]

W. A. Saidi and P. Norman, "Spectroscopic signatures of topological and diatom-vacancy defects in single-walled carbon nanotubes," *Physical Chemistry, Chemical Physics - PCCP*, vol. 16, no. 4, pp. 1479-1486, 2014.

[84]

K. Aidas *et al.*, "The Dalton quantum chemistry program system," *Wiley Interdisciplinary Reviews. Computational Molecular Science*, vol. 4, no. 3, pp. 269-284, 2014.

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J. Sjöqvist *et al.*, "Toward a molecular understanding of the detection of amyloid proteins with flexible conjugated oligothiophenes," *Journal of Physical Chemistry A*, vol. 118, no. 42, pp. 9820-9827, 2014.

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C. Christodoulou *et al.*, "Tuning the work function of graphene-on-quartz with a high weight molecular acceptor," *The Journal of Physical Chemistry C*, vol. 118, no. 9, pp. 4784-4790, 2014.

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T. Fahleson *et al.*, "A density functional theory study of magneto-electric Jones birefringence of noble gases, furan homologues, and mono-substituted benzenes," *Journal of Chemical Physics*, vol. 139, no. 19, 2013.

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T. Fransson *et al.*, "Carbon X-ray absorption spectra of fluoroethenes and acetone : A study at the coupled cluster, density functional, and static-exchange levels of theory," *Journal of Chemical Physics*, vol. 138, no. 12, 2013.

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J. Kauczor *et al.*, "Communication : A reduced-space algorithm for the solution of the complex linear response equations used in coupled cluster damped response theory," *Journal of Chemical Physics*, vol. 139, no. 21, 2013.

[90]

B. F. Milne *et al.*, "Marine natural products from the deep Pacific as potential non-linear optical chromophores," *Physical Chemistry, Chemical Physics - PCCP*, vol. 15, no. 35, pp. 14814-14822, 2013.

[91]

J. Kauczor, P. Norman and W. A. Saidi, "Non-additivity of polarizabilities and van der Waals C6 coefficients of fullerenes," *Journal of Chemical Physics*, vol. 138, no. 11, 2013.

[92]

K. Støchkel *et al.*, "On the influence of water on the electronic structure of firefly oxyluciferin anions from absorption spectroscopy of bare and monohydrated ions in vacuo," *Journal of the American Chemical Society*, vol. 135, no. 17, pp. 6485-6493, 2013.

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J. Cukras *et al.*, "Photoionization cross section by Stieltjes imaging applied to coupled cluster Lanczos pseudo-spectra," *Journal of Chemical Physics*, vol. 139, no. 9, 2013.

[94]

M. Boström *et al.*, "Resonance interaction induced by metal surfaces catalyzes atom-pair breakage," *Physical Review A. Atomic, Molecular, and Optical Physics*, vol. 87, no. 4, pp. 044701, 2013.

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T. Fahleson *et al.*, "The magnetic circular dichroism spectrum of the C 60 fullerene," *Molecular Physics*, vol. 111, no. 9-11, pp. 1401-1404, 2013.

[96]

A. Kivimäki *et al.*, "Use of two-dimensional photoelectron spectroscopy in the decomposition of an inner-shell excitation spectrum broadened by super-Coster-Kronig decay," *Physical Review A. Atomic, Molecular, and Optical Physics*, vol. 88, no. 6, 2013.

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M. Ahrén *et al.*, "A simple polyol-free synthesis route to Gd 2O 3 nanoparticles for MRI applications : An experimental and theoretical study," *Journal of nanoparticle research*, vol. 14, no. 8, 2012.

[98]

S. Coriani *et al.*, "Asymmetric-lanczos-chain-driven implementation of electronic resonance convergent coupled-cluster linear response theory," *Journal of Chemical Theory and Computation*, vol. 8, no. 5, pp. 1616-1628, 2012.

[99]

D. Sulzer, P. Norman and T. Saue, "Atomic C 6 dispersion coefficients : A four-component relativistic Kohn-Sham study," *Molecular Physics*, vol. 110, no. 19-20, pp. 2535-2541, 2012.

[100]

S. Coriani *et al.*, "Coupled-cluster response theory for near-edge x-ray-absorption fine structure of atoms and molecules," *Physical Review A. Atomic, Molecular, and Optical Physics*, vol. 85, no. 2, 2012.

[101]

C. Vahlberg *et al.*, "Phenylboronic ester- and phenylboronic acid-terminated alkanethiols on gold surfaces," *The Journal of Physical Chemistry C*, vol. 116, no. 1, pp. 796-806, 2012.

[102]

P. Norman and H. J. A. Jensen, "Phosphorescence parameters for platinum (II) organometallic chromophores : A study at the non-collinear four-component Kohn-Sham level of theory," *Chemical Physics Letters*, vol. 531, pp. 229-235, 2012.

[103]

W. A. Al-Saidi, S. A. Asher and P. Norman, "Resonance raman spectra of TNT and RDX using vibronic theory, excited-state gradient, and complex polarizability approximations," *Journal of Physical Chemistry A*, vol. 116, no. 30, pp. 7862-7872, 2012.

[104]

P. Norman, "A perspective on nonresonant and resonant electronic response theory for time-dependent molecular properties," *Physical Chemistry, Chemical Physics - PCCP*, vol. 13, no. 46, pp. 20519-20535, 2011.

[105]

M. Linares *et al.*, "Complex Polarization Propagator Approach in the Restricted Open-Shell, Self-Consistent Field Approximation: The Near K-Edge X-ray Absorption Fine Structure Spectra of Allyl and Copper Phthalocyanine," *Journal of Physical Chemistry B*, vol. 115, no. 18, pp. 5096-5102, 2011.

[106]

J. Sjöqvist *et al.*, "Molecular dynamics effects on luminescence properties of oligothiophene derivatives : A molecular mechanics-response theory study based on the CHARMM force field and density functional theory," *Physical Chemistry, Chemical Physics - PCCP*, vol. 13, no. 39, pp. 17532-17542, 2011.

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C. Vahlberg *et al.*, "Noradrenaline and a thiol analogue on gold surfaces : An infrared reflection-absorption spectroscopy, X-ray photoelectron spectroscopy, and near-edge X-ray absorption fine structure spectroscopy study," *The Journal of Physical Chemistry C*, vol. 115, no. 1, pp. 165-175, 2011.

[108]

J. Kauczor, P. Jørgensen and P. Norman, "On the efficiency of algorithms for solving Hartree-Fock and Kohn-Sham response equations," *Journal of Chemical Theory and Computation*, vol. 7, no. 6, pp. 1610-1630, 2011.

[109]

J. Niskanen *et al.*, "Relativistic contributions to single and double core electron ionization energies of noble gases," *Journal of Chemical Physics*, vol. 135, no. 5, pp. 054310, 2011.

[110]

M. Hülsen, P. Norman and M. Dolg, "Theoretical investigation of thermally and photochemically induced haptotropic rearrangements of chromium ligands on naphthalene systems," *Journal of Organometallic Chemistry*, vol. 696, no. 24, pp. 3861-3866, 2011.

[111]

S. Villaume, T. Saue and P. Norman, "Linear complex polarization propagator in a four-component Kohn-Sham framework," *Journal of Chemical Physics*, vol. 133, no. 6, 2010.

[112]

S. Villaume *et al.*, "Near sulfur L-edge X-ray absorption spectra of methanethiol in isolation and adsorbed on a Au(111) surface : A theoretical study using the four-component static exchange approximation," *Physical Chemistry, Chemical Physics - PCCP*, vol. 12, no. 21, pp. 5596-5601, 2010.

[113]

J. Sjöqvist, M. Linares and P. Norman, "Platinum(II) and phosphorus MM3 force field parametrization for chromophore absorption spectra at room temperature," *Journal of Physical Chemistry A*, vol. 114, no. 14, pp. 4981-4987, 2010.

[114]

P. Lind *et al.*, "A theoretical and experimental study of non-linear absorption properties of substituted 2,5-di-(phenylethynyl)thiophenes and structurally related compounds," *Molecular Physics*, vol. 107, no. 7, pp. 629-641, 2009.

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A. Mohammed *et al.*, "Classification of Raman active modes of platinum(II) acetylides : A combined experimental and theoretical study," *Chemical Physics Letters*, vol. 481, no. 4-6, pp. 209-213, 2009.

[116]

M. Linares, S. Stafström and P. Norman, "Effects of π -stacking interactions on the near carbon K -edge x-ray absorption fine structure : A theoretical study of the ethylene pentamer and the phthalocyanine dimer," *Journal of Chemical Physics*, vol. 130, no. 10, 2009.

[117]

E. Glimsdal, P. Norman and M. Lindgren, "Excitation and emission properties of platinum(II) acetylides at high and low concentrations," *Journal of Physical Chemistry A*, vol. 113, no. 42, pp. 11242-11249, 2009.

[118]

S. Villaume and P. Norman, "On circular dichroism and the separation between chromophore and chiral center : The near carbon K-Edge X-ray absorption and circular dichroism spectra of noradrenaline and L-DOPA," *Chirality*, vol. 21, no. 1 E, pp. E13-E19, 2009.

[119]

A. Mohammed, H. Ågren and P. Norman, "Resonance enhanced Raman scattering from the complex electric-dipole polarizability : A theoretical study on N-2," *Chemical Physics Letters*, vol. 468, no. 4-6, pp. 119-123, 2009.

[120]

R. Bast *et al.*, "Role of noncollinear magnetization for the first-order electric-dipole hyperpolarizability at the four-component Kohn-Sham density functional theory level," *Journal of Chemical Physics*, vol. 130, no. 2, 2009.

[121]

A. Mohammed, H. Ågren and P. Norman, "Time-dependent density functional theory for resonant properties : resonance enhanced Raman scattering from the complex electric-dipole polarizability," *Physical Chemistry, Chemical Physics - PCCP*, vol. 11, no. 22, pp. 4539-4548, 2009.

[122]

H. Solheim *et al.*, "Complex polarization propagator calculations of magnetic circular dichroism spectra," *Journal of Chemical Physics*, vol. 128, no. 9, 2008.

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M. Samoc *et al.*, "Cubic Nonlinear Optical Properties of Platinum-Terminated Polyynediyl Chains," *Inorganic Chemistry*, vol. 47, no. 21, pp. 9946-9957, 2008.

[124]

J. Henriksson, T. Saue and P. Norman, "Quadratic response functions in the relativistic four-component Kohn-Sham approximation," *Journal of Chemical Physics*, vol. 128, no. 2, 2008.

[125]

H. Solheim *et al.*, "The A and B terms of magnetic circular dichroism revisited," *Journal of Physical Chemistry A*, vol. 112, no. 40, pp. 9615-9618, 2008.

[126]

A. Jiemchooroj and P. Norman, "X-ray absorption and natural circular dichroism spectra of C84 : A theoretical study using the complex polarization propagator approach," *Journal of Chemical Physics*, vol. 128, no. 23, 2008.

[127]

A. Baev *et al.*, "A quantum mechanical - Electrodynamical approach to nonlinear properties : Application to optical power limiting with platinum-organic compounds," *Journal of nonlinear optical physics and materials*, vol. 16, no. 2, pp. 157-169, 2007.

[128]

U. Ekström, H. Ottosson and P. Norman, "Characterization of the chemisorption of methylsilane on a au(1,1,1) surface from the silicon K- And L-edge spectra : A theoretical study using the four-component static exchange approximation," *The Journal of Physical Chemistry C*, vol. 111, no. 37, pp. 13846-13850, 2007.

[129]

A. Jiemchooroj, B. E. Sernelius and P. Norman, "Electric dipole polarizabilities and C6 dipole-dipole dispersion coefficients for alkali metal clusters and C60," *Journal of Computational Methods in Sciences and Engineering*, vol. 7, no. 5-6, pp. 475-488, 2007.

[130]

A. Jiemchooroj and P. Norman, "Electronic circular dichroism spectra from the complex polarization propagator," *Journal of Chemical Physics*, vol. 126, no. 13, 2007.

[131]

E. Tellgren, J. Henriksson and P. Norman, "First-order excited state properties in the four-component Hartree-Fock approximation : The excited state electric dipole moments in CsAg and CsAu," *Journal of Chemical Physics*, vol. 126, no. 6, 2007.

[132]

A. Jiemchooroj, U. Ekström and P. Norman, "Near-edge x-ray absorption and natural circular dichroism spectra of L-alanine : A theoretical study based on the complex polarization propagator approach," *Journal of Chemical Physics*, vol. 127, no. 16, 2007.

[133]

G. Tu *et al.*, "Self-interaction-corrected time-dependent density-functional-theory calculations of x-ray-absorption spectra," *Physical Review A. Atomic, Molecular, and Optical Physics*, vol. 76, no. 2, pp. 022506, 2007.

[134]

A. Jiemchooroj, P. Norman and B. E. Sernelius, "Electric dipole polarizabilities and C6 dipole-dipole dispersion coefficients for sodium clusters and C60," *Journal of Chemical Physics*, vol. 125, no. 12, 2006.

[135]

E. Jansson *et al.*, "Evaluation of low-scaling methods for calculation of phosphorescence parameters," *Journal of Chemical Physics*, vol. 124, no. 11, 2006.

[136]

J. Henriksson, U. Ekström and P. Norman, "On the evaluation of quadratic response functions at the four-component Hartree-Fock level : Nonlinear polarization and two-photon absorption in bromo- and iodobenzene," *Journal of Chemical Physics*, vol. 124, no. 21, 2006.

[137]

U. Ekström *et al.*, "Polarization propagator for X-ray spectra," *Physical Review Letters*, vol. 97, no. 14, 2006.

[138]

U. Ekström, P. Norman and V. Carravetta, "Relativistic four-component static-exchange approximation for core-excitation processes in molecules," *Physical Review A. Atomic, Molecular, and Optical Physics*, vol. 73, no. 2, 2006.

[139]

J. Henriksson, S. Nyrell and P. Norman, "Theoretical Design of Optical Switches Using the Spin Transition Phenomenon," *Computing letters*, vol. 2, no. 4, pp. 237-249, 2006.

[140]

A. Baev *et al.*, "Theoretical Simulations of clamping levels in optical power limiting," *Journal of Physical Chemistry B*, vol. 110, no. 42, pp. 20912-20916, 2006.

[141]

U. Ekström and P. Norman, "X-ray absorption spectra from the resonant-convergent first-order polarization propagator approach," *Physical Review A. Atomic, Molecular, and Optical Physics*, vol. 74, no. 4, 2006.

[142]

A. Jiemchooroj, P. Norman and B. E. Sernelius, "Complex polarization propagator method for calculation of dispersion coefficients of extended π -conjugated systems : The C 6 coefficients of polyacenes and C 60," *Journal of Chemical Physics*, vol. 123, no. 12, 2005.

[143]

U. Ekström, P. Norman and A. Rizzo, "Four-component Hartree-Fock calculations of magnetic-field induced circular birefringence - Faraday effect - In noble gases and dihalogens," *Journal of Chemical Physics*, vol. 122, no. 7, 2005.

[144]

P. Norman *et al.*, "Nonlinear response theory with relaxation : The first-order hyperpolarizability," *Journal of Chemical Physics*, vol. 123, no. 19, 2005.

[145]

J. Henriksson, P. Norman and H. J. A. Jensen, "Two-photon absorption in the relativistic four-component Hartree-Fock approximation," *Journal of Chemical Physics*, vol. 122, no. 11, 2005.

[146]

A. Jiemchooroj, B. E. Sernelius and P. Norman, "C6 dipole-dipole dispersion coefficients for the n-alkanes : Test of an additivity procedure," *Physical Review A. Atomic, Molecular, and Optical Physics*, vol. 69, no. 4, pp. 044701-1, 2004.

[147]

P. Norman, K. Ruud and T. Helgaker, "Density-functional theory calculations of optical rotatory dispersion in the nonresonant and resonant frequency regions," *Journal of Chemical Physics*, vol. 120, no. 11, pp. 5027-5035, 2004.

[148]

P. Cronstrand *et al.*, "Few-states models for three-photon absorption," *Journal of Chemical Physics*, vol. 121, no. 5, pp. 2020-2029, 2004.

[149]

P. Norman, A. Jiemchooroj and B. E. Sernelius, "First principle calculations of dipole-dipole dispersion coefficients for the ground and first π → π∗ excited states of some azabenzenes," *Journal of Computational Methods in Sciences and Engineering*, vol. 4, no. 3, pp. 321-332, 2004.

[150]

P. Norman and H. Ågren, "First-principle quantum modeling of optical power limiting materials," *Journal of Computational and Theoretical Nanoscience*, vol. 1, no. 4, pp. 343-366, 2004.

[151]

P. Norman and H. Jensen, "Quadratic response functions in the time-dependent four-component Hartree-Fock approximation," *Journal of Chemical Physics*, vol. 121, no. 13, pp. 6145-6154, 2004.

[152]

P. Cronstrand *et al.*, "Ab initio calculations of three-photon absorption," *Chemical Physics Letters*, vol. 375, no. 02-jan, pp. 233-239, 2003.

[153]

P. Norman, A. Jiemchooroj and B. E. Sernelius, "Polarization propagator calculations of the polarizability tensor at imaginary frequencies and long-range interactions for the noble gases and n-alkanes," *Journal of Chemical Physics*, vol. 118, no. 20, pp. 9167-9174, 2003.

[154]

A. Rizzo, K. Ruud and P. Norman, "Relativistic effects on Sternheimer shieldings and the polarizabilities of the electric-field gradient at the nucleus : HX (X = F,Cl,Br,I,At) and Br 2," *Journal of Molecular Structure : THEOCHEM*, vol. 633, no. 2-3, pp. 163-176, 2003.

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B. Jansik *et al.*, "Relativistic effects on linear and non-linear polarizabilities of the furan homologues," *Journal of Molecular Structure : THEOCHEM*, vol. 633, no. 03-feb, pp. 237-246, 2003.

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J. Souza De Almeida *et al.*, "Optical properties of donor-triad cluster in GaAs and GaN," *Applied Physics Letters*, vol. 81, no. 17, pp. 3158-3160, 2002.

[157]

P. Norman *et al.*, "Relativistic effects on linear and nonlinear polarizabilities studied by effective-core potential, Douglas-Kroll, and Dirac-Hartree-Fock response theory," *Journal of Chemical Physics*, vol. 116, no. 16, pp. 6914-6923, 2002.

[158]

B. Jansik *et al.*, "Size, order, and dimensional relations for silicon cluster polarizabilities," *Journal of Physical Chemistry A*, vol. 106, no. 2, pp. 395-399, 2002.

[159]

P. Norman, P. Cronstrand and J. Ericsson, "Theoretical study of linear and nonlinear absorption in platinum-organic compounds," *Chemical Physics*, vol. 285, no. 2-3, pp. 207-220, 2002.

[160]

Y. Luo *et al.*, "Ab initio calculations of structure-to-property relations for two-photon absorption of organic molecule," *Nonlinear Optics, Principles, Materials, Phenomena and Devices*, vol. 27, pp. 33, 2001.

[161]

P. Norman *et al.*, "Near-resonant absorption in the time-dependent self-consistent field and multiconfigurational self-consistent field approximations," *Journal of Chemical Physics*, vol. 115, no. 22, pp. 10323-10334, 2001.

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P. Macak *et al.*, "Electronic and vibronic contributions to two-photon absorption of molecules with multi-branched structures," *Journal of Chemical Physics*, vol. 113, no. 17, pp. 7055-7061, 2000.

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P. Macak *et al.*, "Modeling of dynamic molecular solvent properties using local and cavity field approaches," *Journal of Chemical Physics*, vol. 112, no. 4, pp. 1868-1875, 2000.

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Y. Luo *et al.*, "Nonlinear optical susceptibilities of fullerenes in the condensed phase," *Physical Review B. Condensed Matter and Materials Physics*, vol. 61, no. 4, pp. 3060-3066, 2000.

[165]

Y. Luo, P. Norman and H. Ågren, "Response theory calculations of two-photon absorption cross sections," *Nonlinear Optics*, vol. 26, no. 1-3, pp. 153-160, 2000.

[166]

P. Macak *et al.*, "Semi-classical modeling of medium effects on NLO molecular properties," *Nonlinear Optics*, vol. 25, no. 1-4, pp. 177-182, 2000.

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Y. Luo *et al.*, "Solvent-induced two-photon absorption of a push-pull molecule," *Journal of Physical Chemistry A*, vol. 104, no. 20, pp. 4718-4722, 2000.

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P. Cronstrand *et al.*, "Theoretical calculations of excited state absorption," *Physical Chemistry, Chemical Physics - PCCP*, vol. 2, no. 23, pp. 5357-5363, 2000.

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K. O. Sylvester-Hvid *et al.*, "Cubic optical response of molecules in a nonequilibrium and equilibrium solvation model," *Journal of Physical Chemistry A*, vol. 103, no. 42, pp. 8375-8383, 1999.

[170]

D. M. Bishop and P. Norman, "Effects of vibration on the polarizability and the first and second hyperpolarizabilities of HF, HCl, and HBr," *Journal of Chemical Physics*, vol. 111, no. 7, pp. 3042-3050, 1999.

[171]

P. Norman, Y. Luo and H. Ågren, "Large two-photon absorption cross sections in two-dimensional, charge-transfer, cumulene-containing aromatic molecules," *Journal of Chemical Physics*, vol. 111, no. 17, pp. 7758-7765, 1999.

[172]

Y. Luo, P. Norman and H. Ågren, "Nonlinear optical processes of spiroconjugated dimers," *Chemical Physics Letters*, vol. 303, no. 5-6, pp. 616-620, 1999.

[173]

Y. Luo *et al.*, "Solvent effects on the polarizabilities and hyperpolarizabilities of conjugated polymers," *Journal of Chemical Physics*, vol. 111, no. 21, pp. 9853-9858, 1999.

[174]

P. Norman, Y. Luo and H. Ågren, "Two-photon absorption in five-membered heteroaromatic oligomers," *Optics Communications*, vol. 168, no. 1, pp. 297-303, 1999.

[175]

P. Norman *et al.*, "Vibrational contributions to solute molecular properties obtained through a semiclassical model employing ellipsoidal cavities," *Journal of Chemical Physics*, vol. 110, no. 16, pp. 7960-7965, 1999.

[176]

Y. Luo, P. Norman and H. Ågren, "A semiclassical approximation model for properties of molecules in solution," *Journal of Chemical Physics*, vol. 109, no. 9, pp. 3589-3595, 1998.

[177]

D. Jonsson *et al.*, "Calculations of circular intensity differences in electric-field-induced second harmonic generation," *Chemical Physics Letters*, vol. 288, no. 2-4, pp. 371-376, 1998.

[178]

Y. Luo *et al.*, "Dielectric and optical properties of pure liquids by means of ab initio reaction field theory," *Physical Review E. Statistical, Nonlinear, and Soft Matter Physics : Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics*, vol. 57, no. 4, pp. 4778-4785, 1998.

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D. Jonsson *et al.*, "Electric and magnetic properties of fullerenes," *Journal of Chemical Physics*, vol. 109, no. 2, pp. 572-577, 1998.

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D. Jonsson *et al.*, "Excited state polarizabilities in solution obtained by cubic response theory : Calculations on para-, ortho-, and meta-nitroaniline," *Journal of Chemical Physics*, vol. 109, no. 15, pp. 6351-6357, 1998.

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K. Ruud *et al.*, "Generalized integral-screening for efficient calculations of nonlinear optical properties of large molecules," *Journal of Chemical Physics*, vol. 108, no. 19, pp. 7973-7979, 1998.

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Y. Luo *et al.*, "Molecular length dependence of optical properties of hydrocarbon oligomers," *Chemical Physics Letters*, vol. 285, no. 3-4, pp. 160-163, 1998.

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K. O. Sylvester-Hvid *et al.*, "Nonlinear optical response of molecules in a nonequilibrium solvation model," *Journal of Chemical Physics*, vol. 109, no. 13, pp. 5576-5584, 1998.

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Y. Luo, P. Norman and H. Agren, "Onsager reaction field description of optical properties of octupolar molecules in solution [4]," *Journal of the American Chemical Society*, vol. 120, no. 43, pp. 11188-11189, 1998.

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P. Norman *et al.*, "Response to: Comment on `The hyperpolarizability of trans-butadiene: a critical test case for quantum chemical models'," *Journal of Chemical Physics*, vol. 108, pp. 4358, 1998.

[186]

Y. Luo *et al.*, "Saturation of the optical band gap and properties of five-membered heteroaromatic oligomers," *Journal of Physical Chemistry B*, vol. 102, no. 10, pp. 1710-1712, 1998.

[187]

Y. Luo *et al.*, "Some recent developments of high-order response theory," *International Journal of Quantum Chemistry*, vol. 70, no. 1, pp. 219-239, 1998.

[188]

P. Norman, Y. Luo and H. Ågren, "Structure-to-property relations for two-photon absorption of hydrocarbon oligomers," *Chemical Physics Letters*, vol. 296, no. 1-2, pp. 8-18, 1998.

[189]

P. Norman, Y. Luo and H. Ågren, "Vibrational corrections to static and dynamic hyperpolarizabilities of pure liquids : Calculations on methanol," *Journal of Chemical Physics*, vol. 109, no. 9, pp. 3580-3588, 1998.

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P. Norman *et al.*, "Ab initio calculations of the polarizability and the hyperpolarizability of C50," *Journal of Chemical Physics*, vol. 106, no. 21, pp. 8788-8791, 1997.

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P. Norman, Y. Luo and H. Ågren, "Acetonitrile : A critical test case for solvent induced hyperpolarizabilities obtained by the reaction field model," *Journal of Chemical Physics*, vol. 107, no. 22, pp. 9535-9541, 1997.

[192]

P. Norman, D. Jonsson and H. Ågren, "Excited state properties through cubic response theory : Polarizabilities of benzene and naphthalene," *Chemical Physics Letters*, vol. 268, no. 5-6, pp. 337-344, 1997.

[193]

P. Norman and H. Ågren, "Geometry optimization of core electron excited molecules," *Journal of Molecular Structure : THEOCHEM*, vol. 401, no. 1-2, pp. 107-115, 1997.

[194]

P. Norman *et al.*, "Hyperpolarizability depolarization ratios of nitroanilines," *Journal of Chemical Physics*, vol. 107, no. 21, pp. 9063-9066, 1997.

[195]

D. Jonsson, P. Norman and H. Ågren, "Single determinant calculations of excited state polarizabilities," *Chemical Physics*, vol. 224, no. 2-3, pp. 201-214, 1997.

[196]

D. Jonsson *et al.*, "The hypermagnetizability of molecular oxygen," *Journal of Chemical Physics*, vol. 106, no. 20, pp. 8552-8563, 1997.

[197]

P. Norman *et al.*, "The hyperpolarizability of trans-butadiene : A critical test case for quantum chemical models," *Journal of Chemical Physics*, vol. 106, no. 5, pp. 1827-1835, 1997.

[198]

D. Jonsson, P. Norman and H. Ågren, "Cubic response functions in the muiticonfiguration self-consistent field approximation," *Journal of Chemical Physics*, vol. 105, no. 15, pp. 6401-6419, 1996.

[199]

P. Norman *et al.*, "Efficient parallel implementation of response theory : Calculations of the second hyperpolarizability of polyacenes," *Chemical Physics Letters*, vol. 253, no. 1-2, pp. 1-7, 1996.

[200]

Y. Luo *et al.*, "Ground- and excited-state hyperpolarizabilities of cis-, trans- and diphenyl-polyenes," *Molecular Physics*, vol. 89, no. 5, pp. 1409-1421, 1996.

[201]

D. Jonsson *et al.*, "Magnetic hyperpolarizabilities in a cubic response formulation," *Theoretical Chemistry accounts*, vol. 93, no. 4, pp. 235-241, 1996.

[202]

P. Norman *et al.*, "Non-linear electric and magnetic properties obtained from cubic response functions in the random phase approximation," *Chemical Physics*, vol. 203, no. 1, pp. 23-42, 1996.

[203]

D. Jonsson *et al.*, "Response theory for static and dynamic polarizabilities of excited states," *Journal of Chemical Physics*, vol. 105, no. 2, pp. 581-587, 1996.

[204]

B. F. Minaev *et al.*, "Character and spectra of triplet states in short polyenes," *Chemical Physics*, vol. 194, no. 1, pp. 19-31, 1995.

[205]

P. Norman *et al.*, "Cubic response functions in the random phase approximation," *Chemical Physics Letters*, vol. 242, no. 1-2, pp. 7-16, 1995.

[206]

B. Minaev *et al.*, "Response theory calculations of singlet-triplet transitions in molecular nitrogen," *Chemical Physics*, vol. 190, pp. 11-29, 1995.

[207]

H. Ågren *et al.*, "On the vibrational and orientational probing of surface-adsorbates by direct and resonance photoemission," *Surface Science*, vol. 311, no. 3, pp. 375-384, 1994.

[208]

R. Skånberg *et al.*, "VIA-MD : Visual Interactive Analysis of Molecular Dynamics," in *MolVA 2018 - Workshop on Molecular Graphics and Visual Analysis of Molecular Data*, 2018, pp. 19-27.

[209]

P. Norman, "Applications of response theory with relaxation," in *AIP Conference Proceedings*, 2007, pp. 176-206.

[210]

A. Baev *et al.*, "Light-matter interaction of strong laser pulses in the micro-, nano-, and picosecond regimes," in *Materials Research Society Symposium Proceedings*, 2007, pp. 12-29.

[211]

R. Westlund *et al.*, "Multi-functionalized platinum(II) acetylides for optical power limiting," in *Optical Materials in Defence Systems Technology III*, 2006, pp. U87-U94.

[212]

H. Ågren, P. Norman and A. Baev, "Multiphysics modelling of optical materials," in *Optical Materials in Defence Systems Technology III*, 2006, pp. U8-U24.

[213]

P. Norman and K. Ruud, "Microscopic theory of nonlinear optics," in *Nonlinear optical properties of matter : From molecules to condensed phases, *Papadopoulos, M. G. and Sadlej, A. J. and Leszczynski, J. Ed., : Springer, 2006, pp. 1-49.

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P. Norman, A. Jiemchooroj and B. E. Sernelius, "First principle calculations of dipole-dipole dispersion coefficients for the ground and first pi-pi* excited states of some azabenzenes," in *Computational Aspects of Electric Polarizability Calculations: Atoms, Molecules and Clusters, *G. Maroulis Ed., Amsterdam : IOS Press, 2004.

[215]

P. Macak *et al.*, "Two-photon excitations in molecules," in *Non-linear optical responses of molecules,solids and liquids: Methods and applications, * : Plenum Publishing, 2003.

[216]

D. M. Bishop and P. Norman, "Calculations of dynamic hyperpolarizabilities for small and medium sized molecules," in *Handbook of Advanced Electronic and Photonic Materials, *H. S. Nalwa Ed., San Diego : Academic Press, 2001.

[217]

Z. Rinkevicius *et al.*, "New and efficient Python/C plus plus modular library for real and complex response functions at the level of Kohn-Sham density functional theory," *Abstracts of Papers of the American Chemical Society*, vol. 257, 2019.

[218]

T. Fransson *et al.*, *Computational Chemistry from Laptop to HPC : A notebook exploration of quantum chemistry.* 1st ed. Stockholm : KTH Royal Institute of Technology, 2022.

[219]

P. Norman, K. Ruud and T. Saue, *Principles and practices of molecular properties : Theory, modeling and simulations.* Wiley, 2018.

[220]

P. Norman, "Nonlinear Optical Properties of Fullerenes, Oligomers, and Solutions," Doctoral thesis : Linköping University, Linköping studies in science and technology.Dissertations, 517, 1998.

[221]

Y. Todarwal, M. Linares and P. Norman, "Comparative Analysis of Luminescent Cationic, Anionic, and Neutral Ligands Binding to Amyloid Fibrils in Alzheimer's Disease : A Computational Insight," (Manuscript).

[222]

[223]

M. Brand *et al.*, "Efficient parallel implementation of complex response functions employing the algebraic-diagrammatic construction scheme," (Manuscript).

[224]

C. Gustafsson, M. Linares and P. Norman, "QM/MM Density Functional Theory Simulations of the Optical Properties Fingerprinting the Ligand-binding of Pentameric Formyl Thiophene Acetic Acid in Amyloid-β(1–42)," (Manuscript).

[225]

V. Vaz da Cruz *et al.*, "Resonant inelastic X-ray scattering and X-ray absorption of methanol at the near oxygen K-edge," (Manuscript).

[226]

G. Proietti *et al.*, "Ultralight aerogels via supramolecular polymerization of a new chiral perfluoropyridin-based sulfonimidamide organogelator," (Manuscript).

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