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Publications by Patrick Norman

Refereegranskade

Artiklar

[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.
[2]
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.
[6]
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.
[7]
M. Scheurer et al., "Solving response expressions in the ADC/ISR framework," Journal of Chemical Physics, vol. 158, no. 8, pp. 084105, 2023.
[8]
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.
[9]
T. Fransson et al., "eChem : A Notebook Exploration of Quantum Chemistry," Journal of Chemical Education, vol. 100, no. 4, pp. 1664-1671, 2023.
[11]
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.
[15]
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.
[19]
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.
[20]
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.
[21]
L. Zhang et al., "Naphthodithiophene Diimide Based Chiral π-Conjugated Nanopillar Molecules," Angewandte Chemie International Edition, vol. 60, no. 46, pp. 24543-24548, 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.
[25]
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.
[26]
M. Scheurer et al., "Complex excited state polarizabilities in the ADC/ISR framework," Journal of Chemical Physics, vol. 153, no. 7, 2020.
[27]
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.
[29]
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.
[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.
[35]
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.
[36]
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.
[37]
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.
[41]
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.
[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.
[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.
[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.
[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]
[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.
[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.
[67]
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.
[68]
[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.
[73]
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.
[74]
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.
[75]
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.
[76]
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.
[77]
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.
[80]
[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.
[82]
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.
[85]
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.
[86]
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.
[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]
[93]
[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.
[95]
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.
[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.
[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.
[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.
[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.
[115]
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.
[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.
[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.
[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.
[123]
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.
[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.
[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.
[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.
[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.
[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.
[155]
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.
[156]
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.
[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]
[162]
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.
[163]
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.
[164]
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.
[167]
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.
[168]
P. Cronstrand et al., "Theoretical calculations of excited state absorption," Physical Chemistry, Chemical Physics - PCCP, vol. 2, no. 23, pp. 5357-5363, 2000.
[169]
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]
[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.
[179]
D. Jonsson et al., "Electric and magnetic properties of fullerenes," Journal of Chemical Physics, vol. 109, no. 2, pp. 572-577, 1998.
[180]
[181]
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.
[182]
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.
[183]
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.
[184]
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.
[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.
[190]
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.
[191]
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]
[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.
[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]

Konferensbidrag

[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.

Kapitel i böcker

[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.
[214]
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.

Icke refereegranskade

Artiklar

Böcker

[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.

Avhandlingar

[220]
P. Norman, "Nonlinear Optical Properties of Fullerenes, Oligomers, and Solutions," Doctoral thesis : Linköping University, Linköping studies in science and technology.Dissertations, 517, 1998.
Senaste synkning med DiVA:
2024-02-19 00:09:56