Multiplicative potentials for kinetic energy and exact exchange

Harriman showed that within finite basis sets of one-electron functions that form linearly independent products (LIP), differential and integral operators can be represented exactly and unambiguously by multiplicative (local) potentials. Although almost no standard basis sets of quantum chemistry fo...

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Veröffentlicht in:	The Journal of chemical physics 2022-11, Vol.157 (20), p.204107-204107
Hauptverfasser:	Oueis, Yan, Staroverov, Viktor N.
Format:	Artikel
Sprache:	eng
Schlagworte:	Kinetic energy Operators (mathematics) Orbitals Physics Quantum chemistry Self consistent fields
Online-Zugang:	Volltext
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