Quantum Chemistry 9.10 - Hartree-Fock Spin
Автор: TMP Chem
Загружено: 2016-08-14
Просмотров: 7990
Описание:
Short lecture on spin in Hartree-Fock theory.
Once we account for the spin of electrons, all one-electron energy terms remain, as do all Coulomb terms. The exchange terms only remain between pairs of same spin electrons. This leads to a simplified expression for the Hartree-Fock atomic energy.
Notes Slide: http://i.imgur.com/xcM0suA.png
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