A self-consistent field formulation of excited state mean field theory

A self-consistent field formulation of excited state mean field theory [electronic resource]

In this work, we show that, as in Hartree-Fock theory, the orbitals for excited state mean field theory can be optimized via a self-consistent one-electron equation in which electron-electron repulsion is accounted for through mean field operators. In addition to showing that this excited state ansa...

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Online Access: Full Text (via OSTI)
Corporate Authors: Lawrence Berkeley National Laboratory (Researcher), Lawrence Berkeley National Laboratory, E-Scholarship Repository, Berkeley, CA (United States)
Format: Government Document Electronic eBook
Language:English
Published: Washington, D.C. : Oak Ridge, Tenn. : United States. Department of Energy. Office of Science ; Distributed by the Office of Scientific and Technical Information, U.S. Department of Energy, 2020.
Subjects:
37 inorganic, organic, physical, and analytical chemistry
Self consistent field methods
Configuration interaction
Mean field theory
Excited states
Inorganic, organic, physical, and analytical chemistry

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Call Number: E 1.99:1713264
E 1.99:1713264 Available

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