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Faculty of Mathematics and Physics
Teorie srážek atomů a molekul
14. února - 17. března
Roothan equations, UHF, RHF
Roothan equations, UHF, RHF
Click
Lesson02.pdf
link to view the file.
◄ Hartree-Fock approximation
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Oznámení
Born-Oppenheimer approximation
Hartree-Fock approximation
Introduction to basis sets
Koopman's theorems, Slater-Condon rules, MP2
Method of Configuration Interaction
Exercise 1
Reduced density matrix, Introduction to Coupled Clusters
Exercise 2
Separation of molecular translations, vibrations and rotations
Exercise 3
Solid rotor, angular momentum of the rigid-body quantum system
Introduction to basis sets ►