On the errors of local density (LDA) and generalized gradient (GGA) approximations to the Kohn-Sham potential and orbital energies.
about
Ionization potential optimized double-hybrid density functional approximations.Simple Fully Nonlocal Density Functionals for Electronic Repulsion Energy.Natural excitation orbitals from linear response theories: Time-dependent density functional theory, time-dependent Hartree-Fock, and time-dependent natural orbital functional theory.Augmented potential, energy densities, and virial relations in the weak- and strong-interaction limits of DFT.Reducing density-driven error without exact exchange.From the Kohn-Sham band gap to the fundamental gap in solids. An integer electron approach.Effects of the locality of a potential derived from hybrid density functionals on Kohn-Sham orbitals and excited states.
P2860
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P2860
On the errors of local density (LDA) and generalized gradient (GGA) approximations to the Kohn-Sham potential and orbital energies.
description
2016 nî lūn-bûn
@nan
2016年の論文
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2016年学术文章
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2016年学术文章
@zh-cn
2016年学术文章
@zh-hans
2016年学术文章
@zh-my
2016年学术文章
@zh-sg
2016年學術文章
@yue
2016年學術文章
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2016年學術文章
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name
On the errors of local density ...... otential and orbital energies.
@en
On the errors of local density
@nl
type
label
On the errors of local density ...... otential and orbital energies.
@en
On the errors of local density
@nl
prefLabel
On the errors of local density ...... otential and orbital energies.
@en
On the errors of local density
@nl
P2093
P2860
P356
P1476
On the errors of local density ...... otential and orbital energies.
@en
P2093
E J Baerends
O V Gritsenko
Ł M Mentel
P2860
P304
P356
10.1063/1.4950877
P407
P577
2016-05-01T00:00:00Z