Communication: The role of the positivity N-representability conditions in natural orbital functional theory.
about
Reliability of interacting quantum atoms (IQA) data computed from post-HF densities: impact of the approximation used.Analytic gradients for natural orbital functional theory.Molecular electric moments calculated by using natural orbital functional theory.The natural orbital functional theory of the bonding in Cr2, Mo2 and W2.Computational study of Be2 using Piris natural orbital functionals.The extended Koopmans' theorem: vertical ionization potentials from natural orbital functional theory.Comprehensive benchmarking of density matrix functional approximations.Global Method for Electron Correlation.Avoiding the 4-index transformation in one-body reduced density matrix functional calculations for separable functionals.Excitation energies from range-separated time-dependent density and density matrix functional theory.Strongly correlated barriers to rotation from parametric two-electron reduced-density-matrix methods in application to the isomerization of diazene.
P2860
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P2860
Communication: The role of the positivity N-representability conditions in natural orbital functional theory.
description
2010 nî lūn-bûn
@nan
2010年の論文
@ja
2010年学术文章
@wuu
2010年学术文章
@zh
2010年学术文章
@zh-cn
2010年学术文章
@zh-hans
2010年学术文章
@zh-my
2010年学术文章
@zh-sg
2010年學術文章
@yue
2010年學術文章
@zh-hant
name
Communication: The role of the ...... ral orbital functional theory.
@en
Communication: The role of the ...... ral orbital functional theory.
@nl
type
label
Communication: The role of the ...... ral orbital functional theory.
@en
Communication: The role of the ...... ral orbital functional theory.
@nl
prefLabel
Communication: The role of the ...... ral orbital functional theory.
@en
Communication: The role of the ...... ral orbital functional theory.
@nl
P2860
P50
P356
P1476
Communication: The role of the ...... ral orbital functional theory.
@en
P2093
P2860
P304
P356
10.1063/1.3481578
P407
P577
2010-09-01T00:00:00Z