NEGF-HF method in molecular junction property calculations.
about
Benchmarking the performance of density functional theory based Green's function formalism utilizing different self-energy models in calculating electronic transmission through molecular systems.An efficient molecular orbital approach for self-consistent calculations of molecular junctions.A theoretical study of molecular conduction. III. A nonequilibrium-Green's-function-based Hartree-Fock approach.Electron tunneling of photochemical reactions on metal surfaces: nonequilibrium Green's function-density functional theory approach to photon energy dependence of reaction probability.
P2860
NEGF-HF method in molecular junction property calculations.
description
2003 nî lūn-bûn
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2003年の論文
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2003年学术文章
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NEGF-HF method in molecular junction property calculations.
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NEGF-HF method in molecular junction property calculations.
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type
label
NEGF-HF method in molecular junction property calculations.
@en
NEGF-HF method in molecular junction property calculations.
@nl
prefLabel
NEGF-HF method in molecular junction property calculations.
@en
NEGF-HF method in molecular junction property calculations.
@nl
P356
P1476
NEGF-HF method in molecular junction property calculations.
@en
P2093
Abraham Nitzan
P356
10.1196/ANNALS.1292.003
P577
2003-12-01T00:00:00Z