Hartree Fock Video 5.2 Implementing the SCF Loop
Автор: James Johns
Загружено: 2016-11-09
Просмотров: 3017
Описание: In this video, we take the matrix elements that we have calculated in the other portions of the program, and solve for the combination of orbitals with the lowest energy within the Hartree Fock Approximation in a finite Gaussian Basis. We also build a Potential Energy Surface for H2.
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