A density-division embedding potential inversion technique.
about
A Simple, Exact Density-Functional-Theory Embedding Scheme.Optimized unrestricted Kohn-Sham potentials from ab initio spin densities.Density functional theory embedding for correlated wavefunctions: improved methods for open-shell systems and transition metal complexes.Embedded density functional theory for covalently bonded and strongly interacting subsystems.Accurate and systematically improvable density functional theory embedding for correlated wavefunctions.Accurate basis set truncation for wavefunction embedding.On the accuracy of frozen density embedding calculations with hybrid and orbital-dependent functionals for non-bonded interaction energies.Time-dependent potential-functional embedding theory.Excitation energies from frozen-density embedding with accurate embedding potentials.Frozen density embedding with hybrid functionals.Effective scheme for partitioning covalent bonds in density-functional embedding theory: From molecules to extended covalent systems.Subsystem density-functional theorySolvatochromic shifts from coupled-cluster theory embedded in density functional theory
P2860
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P2860
A density-division embedding potential inversion technique.
description
2009 nî lūn-bûn
@nan
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
@zh-my
2009年学术文章
@zh-sg
2009年學術文章
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2009年學術文章
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name
A density-division embedding potential inversion technique.
@en
A density-division embedding potential inversion technique.
@nl
type
label
A density-division embedding potential inversion technique.
@en
A density-division embedding potential inversion technique.
@nl
prefLabel
A density-division embedding potential inversion technique.
@en
A density-division embedding potential inversion technique.
@nl
P2860
P50
P356
P1476
A density-division embedding potential inversion technique.
@en
P2093
P Villarreal
P2860
P304
P356
10.1063/1.3274823
P407
P577
2009-12-01T00:00:00Z