Introduction to Hartree-Fock Molecular Orbital Theory Part 1

Опубликовано: 13 Июль 2026
на канале: David Sherrill
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This video introduces the theory behind Hartree-Fock Molecular Orbital theory, starting from the assumption of the Born-Oppenheimer approximation and the form of the electronic Hamiltonian, to the assumption of a single Slater determinant, to the Hartree-Fock energy expression that we minimize when applying the variational method.