SUBJECT
Title
Quantum chemistry I
Type of instruction
lecture
Level
master
Faculty
Part of degree program
Credits
3
Recommended in
Semester 3
Typically offered in
Autumn semester
Course description
Methods for determining the ground state: variational principle, Eckart inequality. Method of moments. Perturbation theory, recursion formulas. Rayleigh–Schrödinger and Brillouin–Wigner method. Size consistency. Reduced resolvent. Pade-approximation. Partition method. Wave operator, Lippman–Schwinger equation. Second quantization formalism. Wick's theorem, Fermi vacuum. Electron-hole formalism. Density matrices. Fock operator. Spatial orbitals. Brillouin theorem. Many body perturbation theory.
Readings
recommended readings:
- P. R. Surjan: Second Quantized Approach to Quantum Chemistry (Springer, 1989)
- R. McWeeny: Methods of Molecular Quantum Mechanics, 2nd Ed., (Academic Press, 1992)