Atomic and molecular physics 0800-PA-ATMOLPHY
1. Atomistic concept of matter construction - historical outline
2. The Schroedinger equation for atoms and molecules
3. Separation of the motion of nuclei and electrons in molecules
4. The Schroedinger equation with the electron Hamiltonian for atomic and molecular systems
5. Methods of approximate solving the Schroedinger equation: variational method and perturbation expansion
6. independent-electron approximation
- construction of a many-electron wave function in the form of a Slater determinant
- application of the variation method in the independent-electron model - Hartree-Fock equation
7. Effects of electron correlation - going beyond the Hartree-Fock approximation
- formalism of the second quantization, many-body and diagrammatic techniques
- many-body perturbation theory (Moller-Plesset perturbation theory)
- configuration interaction method
- coupled-cluster method
- advantages and disadvantages of approximate methods for electron correlation description (variationalityand size extensivity)
8. Nondynamic electronon correlation - introduction to approximate multi-reference methods of solving the Schroedinger equation for atomic and molecular systems
Total student workload
Learning outcomes - knowledge
Learning outcomes - skills
Learning outcomes - social competencies
Teaching methods
Expository teaching methods
Exploratory teaching methods
- practical
Prerequisites
Course coordinators
Term 2023/24L: | Term 2024/25L: | Term 2022/23L: |
Assessment criteria
The course consists of 30 h. of lecture and 30h. of exercises. The exercises are credited on the base of activity and two tests.
The lecture is credited on the base of positive exercises credit
and the exam from theoretical as well practical knowledge.
The written egzam ratings and evaluation:
50-60% points - 3
60-70% points - 3+
70-80% points - 4
80-90% points - 4+
90-100% points - 5
The same criteria of evaluation apply to the exercises.
Bibliography
1. Włodzimierz Kołos, Chemia kwantowa, PWN, Warszawa 1978.
2. L. Piela, Idee Chemii Kwantowej, PWN, Warszawa 2003.
3. Bronisław Średniawa, Mechanika kwantowa, PWN, Warszawa 1981.
4. J. Ginter, Wstęp do fizyki atomu, cząsteczki i ciała stałego, PWN, Warszawa 1979.
5. L. Shiff, Mechanika kwantowa, PWN, Warszawa 1977.
6. F. W. Byron, R. W. Fuller, Matematyka w fizyce klasycznej i kwantowej, tom 2, PWN, Warszawa 1974.
7. Isaiah Shavitt and Rodney J. Bartlett, Many-Body Methods in Quantum Chemistry and Physics, Cambridge University Press, New York 2009.
Additional information
Additional information (registration calendar, class conductors, localization and schedules of classes), might be available in the USOSweb system: