Gauging away the electron–electron interaction by the local phase of complex wave functions in two-electron systems
Author(s) -
Katsuhisa Ohta
Publication year - 2016
Publication title -
journal of mathematical chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.421
H-Index - 64
eISSN - 1572-8897
pISSN - 0259-9791
DOI - 10.1007/s10910-016-0673-0
Subject(s) - hamiltonian (control theory) , electron , physics , wave function , quantum mechanics , mathematical physics , quantum electrodynamics , mathematics , mathematical optimization
The electron-electron interaction is eliminated in the expectation values of the electronic Hamiltonian for two-electron systems. The part of the Hamiltonian referring to the repulsive interaction is gauged away by the local phase of the complex wave functions, much like a gauge eld transformation, thereby leading to a one-electron Hamiltonian. Despite the appearance of complex wave functions, the expectation values of the total momentum operator vanish and Lowdin\u27s criterion holds for the stationary states
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