Didattica integrativa
Esercitazioni
Modalità d'esame
Prova orale
Prerequisiti
Undergraduate students with basic knowledge of quantum mechanics and molecular orbital theory.
Programma del corso
The course will focus on many body methods for molecular systems, with specific applications to the calculation of molecular properties.
The following aspects will be discussed:
1. Second quantization (SQ) formalisme.
2. Hartree-Fock method.
3. Configuration interaction methods
4. Perturbation theory
5. Coupled cluster methods
6. Coupled cluster perturbation theory
7. Equation of motion coupled cluster methods
8. Coupled cluster response theory.
The teaching will be composed of lectures and exercises. An intensive week of project work will be arranged at the end of the course. The course is evaluated based on the activity in the intensive week and an oral exam.
Riferimenti bibliografici
T. Helgaker, P. Jørgensen, and J. Olsen, Molecular Electronic-Structure Theory (John Wiley & Sons, Ltd, Chichester, UK, 2000)