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Molecular Quantum Mechanics, 7,5 credits

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The course syllabus was confirmed by the Faculty board for graduate studies 25 October 2017. The course is in the third cycle and amounts to 7.5 credits.
The course syllabus is formally approved in Swedish. This is a translation.

Learning outcomes

The course aims to provide good knowledge of the basic theories about chemical bonds and intermolecular interaction and how they control the behaviour of matter.

On completion of the course, participants shall be able to:

Knowledge and understanding

• Understand and apply the principles of quantum mechanics to molecular systems. Skills and abilities
• Use quantum mechanical computer programmes to calculate the properties of molecular systems, interpret results and assess sources of errors.

Judgement and approach

• Demonstrate thorough understanding of chemical bonds.

Course content

Lectures: The course covers two areas, quantum mechanics and quantum chemistry. The quantum mechanics section takes up the basic equations that control the behaviour of microscopic particles. The quantum chemical section takes up how these basic equations control the behaviour of atoms and molecules.
Project: A small project will be carried out, with focus on quantum chemistry.

Teaching

Teaching comprises lectures and exercises in which theoretical aspects are treated. During the course there is one compulsory project that is presented orally.

Assessment

The assessment is based upon the project work and upon a written or oral exam. Re-sit examinations are offered soon after the examination to students who do not pass.

Grading scale

Possible grades are Pass and Fail. To pass the course, students must pass the examination and pass the project.

Language of instruction

English.

Entry requirements

Admitted to PhD studies in Chemistry, Physics, or corresponding subject.

Additional information

The course is given also at advanced level, as KEMM28. Hence, this course cannot be credited together with KEMM28/KEMM58. The course also cannot be credited together with
KEM063 Theoretical Chemistry (15 credits) or KEMM08 Theoretical Chemistry (15 credits)

Course responsible teacher and unit/division

Valera Veryazov
Email: valera.veryazov@compchem.lu.se

Computational Chemistry, KILU

Do you have questions? Please contact viveka.alfredsson@chem.lu.se