Many-Body Methods in Quantum Chemistry

Periodo di svolgimento
Ore del corso
50
Ore dei docenti responsabili
50
Ore di didattica integrativa
0
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Modalità esame

Prova orale

Docente

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Docente

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Prerequisiti

Undergraduate students with basic knowledge of quantum mechanics and molecular orbital theory.

Programma

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.

Obiettivi formativi

The students should obtain a high level understanding of the second quantization formalisme for formulating electronic structure methods. This will provide them with the nessesary tools for developing new models and reading the quantum chemistry literature.

Riferimenti bibliografici

T. Helgaker, P. Jørgensen, and J. Olsen, Molecular Electronic-Structure Theory (John Wiley & Sons, Ltd, Chichester, UK, 2000)