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FCK3325 Quantum Chemistry with Applications in Physical Chemistry 12.0 credits

Administer About course

The course consists of three parts. The essential quantum mechanics that is required later is covered in the first part. The second part covers quantum chemical theory and modern computational methods in quantum chemistry. In the third part quantum chemical computations are applied to a research problem in physical chemistry. The topic is selected together with the examiner, and should preferentially be related to the students own research.

Information per course offering

Course offerings are missing for current or upcoming semesters.

Course syllabus as PDF

Please note: all information from the Course syllabus is available on this page in an accessible format.

Course syllabus FCK3325 (Autumn 2022–)
Headings with content from the Course syllabus FCK3325 (Autumn 2022–) are denoted with an asterisk ( )

Content and learning outcomes

Course contents

In this course, the participants are expected to develop their proficiency in:

  • Basic quantum mechanics
  • Quantum chemical theory
  • The application of quantum chemistry and the use of quantum chemical software for analysing a research problem in physical chemistry. The research problem is selected together with the examiner.

Intended learning outcomes

Upon completion of the course the doctoral student should have the knowledge and ability to:

  • Describe in detail the formalism of quantum mechanics, relate to and summarize the concepts of quantum mechanics in order to define, calculate and explain the behavior of quantum mechanical model systems.
  • Describe, explain and apply basic quantum chemical theory for atomic and molecular many-electron systems to the computation of molecular properties, chemical reactivity and molecular spectroscopy.
  • Apply quantum chemical calculations and modern quantum chemical software to analyse a specific research problem in physical chemistry. The research problem can, for example, be related to chemical kinetics, catalysis, spectroscopy or intermolecular interactions.

Literature and preparations

Specific prerequisites

Eligible for studies at the third-cycle level.

To be able to profit from the course the graduate student should have taken basic courses in physical chemistry or corresponding topics.

Literature

You can find information about course literature either in the course memo for the course offering or in the course room in Canvas.

Examination and completion

Grading scale

P, F

Examination

  • TEN1 - Written exam, 6.0 credits, grading scale: P, F
  • LAB1 - Compulsory attendance and written reports, 2.0 credits, grading scale: P, F
  • PRO1 - Written report and oral presentation, 4.0 credits, grading scale: P, F

Based on recommendation from KTH’s coordinator for disabilities, the examiner will decide how to adapt an examination for students with documented disability.

The examiner may apply another examination format when re-examining individual students.

If the course is discontinued, students may request to be examined during the following two academic years.

Examiner

No information inserted

Ethical approach

  • All members of a group are responsible for the group's work.
  • In any assessment, every student shall honestly disclose any help received and sources used.
  • In an oral assessment, every student shall be able to present and answer questions about the entire assignment and solution.

Further information

Course room in Canvas

Registered students find further information about the implementation of the course in the course room in Canvas. A link to the course room can be found under the tab Studies in the Personal menu at the start of the course.

Offered by

CBH/Chemistry

Education cycle

Third cycle

Postgraduate course

Postgraduate courses at CBH/Chemistry