Electron transport through an interacting region: The case of a nonorthogonal basis set
about
Electric response of a metal-molecule-metal junction to laser pulse by solving hierarchical equations of motion.Interference-based molecular transistors.Rethinking first-principles electron transport theories with projection operators: the problems caused by partitioning the basis set.Theoretical study of charge recombination at the TiO2-electrolyte interface in dye sensitised solar cells.Time-dependent density functional theory quantum transport simulation in non-orthogonal basis.Energy level alignment and quantum conductance of functionalized metal-molecule junctions: density functional theory versus GW calculations.An efficient nonequilibrium Green's function formalism combined with density functional theory approach for calculating electron transport properties of molecular devices with quasi-one-dimensional electrodes.Response to "Comment on 'Rethinking first-principles electron transport theories with projection operators: the problems caused by partitioning the basis set'" [J. Chem. Phys. 140, 177103 (2014)].An expression for the bridge-mediated electron transfer rate in dye-sensitized solar cells.Ghost transmission: How large basis sets can make electron transport calculations worse.An approach to develop chemical intuition for atomistic electron transport calculations using basis set rotations.Simultaneous description of conductance and thermopower in single-molecule junctions from many-bodyab initiocalculationsAb initiononequilibrium quantum transport and forces with the real-space projector augmented wave methodSelf-consistent GW calculations of electronic transport in thiol- and amine-linked molecular junctionsFully self-consistent GW calculations for moleculesBenchmark density functional theory calculations for nanoscale conductanceConservingGWscheme for nonequilibrium quantum transport in molecular contactsQuantum conductance of 4,4-bipyridine molecular junctions: Role of electrode work function and localdbandElectron transport in aPt−CO−Ptnanocontact: Density functional theory calculationsInfluence ofO2andN2on the conductivity of carbon nanotube networks
P2860
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P2860
Electron transport through an interacting region: The case of a nonorthogonal basis set
description
2006 nî lūn-bûn
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2006年の論文
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2006年学术文章
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2006年学术文章
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2006年学术文章
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2006年学术文章
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2006年学术文章
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2006年學術文章
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name
Electron transport through an interacting region: The case of a nonorthogonal basis set
@en
Electron transport through an interacting region: The case of a nonorthogonal basis set
@nl
type
label
Electron transport through an interacting region: The case of a nonorthogonal basis set
@en
Electron transport through an interacting region: The case of a nonorthogonal basis set
@nl
prefLabel
Electron transport through an interacting region: The case of a nonorthogonal basis set
@en
Electron transport through an interacting region: The case of a nonorthogonal basis set
@nl
P2860
P1433
P1476
Electron transport through an interacting region: The case of a nonorthogonal basis set
@en
P2860
P356
10.1103/PHYSREVB.73.035309
P407
P577
2006-01-11T00:00:00Z
P818
cond-mat/0509317