Many-Body Methods in Quantum Chemistry

Period of duration of course
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Course info
Number of course hours
50
Number of hours of lecturers of reference
50
Number of hours of supplementary teaching
0
CFU 8
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Type of exam

Oral exam

Lecturer

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Lecturer

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Prerequisites

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

Programme

 

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.

Educational aims

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.

Bibliographical references

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