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Lecture
Quantum Chemical Electronic Structure Methods
In course
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Description
This lecture covers the fundamental assumptions behind standard quantum chemical electronic structure methods, the basis set superposition error, and the Hartree-Fock method. Topics include Slater determinants, basis functions, BSSE, and the SCF method. The lecture also delves into the Hartree-Fock energy expression and the justification of empirical rules like Hund's rule.
Instructor
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Official source
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