Exact ionization potentials from wavefunction asymptotics: the extended Koopmans' theorem, revisited.
about
The density per particle can be used as the fundamental descriptor for systems with rapidly decaying external potentials.Exact exchange-correlation potentials of singlet two-electron systems.Kohn-Sham exchange-correlation potentials from second-order reduced density matrices.Assessment of the extended Koopmans' theorem for the chemical reactivity: Accurate computations of chemical potentials, chemical hardnesses, and electrophilicity indices.The extended Koopmans' theorem for orbital-optimized methods: accurate computation of ionization potentials.Origin of the step structure of molecular exchange-correlation potentials.
P2860
Exact ionization potentials from wavefunction asymptotics: the extended Koopmans' theorem, revisited.
description
2009 nî lūn-bûn
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2009年の論文
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2009年学术文章
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2009年学术文章
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2009年学术文章
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2009年学术文章
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2009年学术文章
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2009年学术文章
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2009年學術文章
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name
Exact ionization potentials fr ...... Koopmans' theorem, revisited.
@en
Exact ionization potentials fr ...... Koopmans' theorem, revisited.
@nl
type
label
Exact ionization potentials fr ...... Koopmans' theorem, revisited.
@en
Exact ionization potentials fr ...... Koopmans' theorem, revisited.
@nl
prefLabel
Exact ionization potentials fr ...... Koopmans' theorem, revisited.
@en
Exact ionization potentials fr ...... Koopmans' theorem, revisited.
@nl
P2093
P2860
P356
P1476
Exact ionization potentials fr ...... d Koopmans' theorem, revisited
@en
P2093
Diederik Vanfleteren
Dimitri Van Neck
Patrick Bultinck
Robert C Morrison
P2860
P304
P356
10.1063/1.3130044
P407
P577
2009-05-01T00:00:00Z