SUBJECT

Title

Electronic Structure of Molecules

Type of instruction

lecture

Level

Master

Part of degree program
Credits

2

Recommended in

Semesters 1-4

Typically offered in

Autumn/Spring semester

Course description

Electronic structure of atoms, atomic orbitals, atomic spectra; Electronic structure of diatomic molecules, the concept of molecular orbitals; MO theory, Hartree-Fock methods; Electronic structure of general molecules, Valence Bond theories; Electronic structure of conjugated molecules, Hückel-theory; Electronic structure of transition metal complexes, crystal field and ligand field theories; Electronic structure of periodic systems; bend structure, Brillouin zone, conduction, semi-conduction, isolation; Methods of electronic structure theories.

Readings

Compulsory:

  • P. W. Atkins: Physical Chemistry, Oxford University Press, 2005

Suggested:

  • Peter Attkins, Ronald Freidman: Molecular Quantum Mechanics, Oxford University Press, 2005

  • Electronic Structure Calculations for Solids and Molecules: Theory and Computational Methods 1st Edition, Jorge Kohanoff, Cambridge University Press (2006)