Theoretical Chemistry NV1

10 credit points

Syllabus, C-level, 1KE340

Code
1KE340
Level
C
Subject(s)
Physics
Grading system
Pass with distinction (VG), Pass (G), Fail (U)
Finalised
29 January 2005
Responsible department
Department of Chemistry for Life Sciences

Entry requirements

Two years of University studies. 20 credit points mathematics and 40 credit points physics or chemistry

Aims

The aim of the course is to give deeper knowledge about quantum mechanical treatment of many-electron systems, and to give familiarity with different computational methods for quantum chemical calculations on molecular systems.

Content

Quantum Mechanics: wave functions, operators,

the Schrödinger equation, 1-dim models, angular momentum

perturbation theory, the variational principle.

Molecular Physics: the Hydrogen atom, independent particle model,

the Hartree-Fock approximation. Molecular orbital theory.

Valence bond. Density functional theory. Symmetri.

Theoretical Chemistry: Computational methods in Quantum Cehmistry,

Instruction

Lectures, lessons and computer exercises

Assessment

Witten examination at the end of the different

parts of the course. Oral presentationm of project work.

No reading list found.

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