Hartree--Fock Theory, Lieb's Variational Principle, and their Generalizations

2022/09/21 by Volker Bach, Bach, Volker
Chemistry · Physics and Astronomy · #Molecular spectroscopy and chirality #Quantum Mechanics and Applications #Spectroscopy and Quantum Chemical Studies

paper · pdf · doi:10.48550/arxiv.2209.10189

Abstract

Hartree--Fock theory in quantum mechanics is reviewed, from the proposal of the Hartree--Fock approximation right after quantum mechanics was formulated to its applications in modern physics. This includes the description of traditional Hartree--Fock theory in quantum chemistry, its generalizations of various kinds, and its importance for predicting the presence of symmetry breaking, or the absence thereof.

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