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Teorie srážek atomů a molekul
18 March - 24 March
Reduced density matrix, Introduction to Coupled Clusters
Reduced density matrix, Introduction to Coupled Clusters
Completion requirements
Click
Lesson06.pdf
link to view the file.
◄ Exercise 1
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Oznámení
Born-Oppenheimer approximation
Hartree-Fock approximation
Roothan equations, UHF, RHF
Introduction to basis sets
Koopman's theorems, Slater-Condon rules, MP2
Method of Configuration Interaction
Exercise 1
Exercise 2
Separation of molecular translations, vibrations and rotations
Exercise 3
Solid rotor, angular momentum of the rigid-body quantum system
Exercise 2 ►