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Teorie srážek atomů a molekul
14. února - 17. března
Hartree-Fock approximation
Hartree-Fock approximation
Completion requirements
Click
Lesson01.pdf
link to view the file.
◄ Born-Oppenheimer approximation
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Oznámení
Born-Oppenheimer approximation
Roothan equations, UHF, RHF
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
Roothan equations, UHF, RHF ►