Coupled cluster theory and its applications to molecular properties 1200-3MON8Z

During the lecture the second quantization will be recapitulated, then the diagrammatic approach will be presented. Then the following issues will be addressed:
1) electron correlation energy in the coupled cluster approximation
(CCSD, CCSDT, more approximate ways to account for triples excitations);
2) LR-CC and EOM-CC methods for excited states (CCSD, CCn);
3) density matrices and molecular properties of the first order (like e.g. dipole moments) for the ground state and excited states;
4) molecular properties of higher order (like e.g. polarizabilities).
There will be discussed the problems of size-consistency, limits of applicability of the single-reference CC approach. Additionally, the relationship between Moeller-Plesset theory and CC theory will be analyzed.
Some numerical examples of it ab initio calculations will be shown, which were obtained with available quantum chemistry programs.