Electron transport through single conjugated organic molecules: basis set effects in ab initio calculations.
about
Spin-filtering and rectification effects in a Z-shaped boron nitride nanoribbon junction.Rethinking first-principles electron transport theories with projection operators: the problems caused by partitioning the basis set.Numerical solver for first-principles transport calculation based on real-space finite-difference method.Ghost transmission: How large basis sets can make electron transport calculations worse.Applicability of the wide-band limit in DFT-based molecular transport calculations.Benchmark density functional theory calculations for nanoscale conductance
P2860
Electron transport through single conjugated organic molecules: basis set effects in ab initio calculations.
description
2007 nî lūn-bûn
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2007年の論文
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2007年学术文章
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name
Electron transport through sin ...... cts in ab initio calculations.
@en
Electron transport through sin ...... cts in ab initio calculations.
@nl
type
label
Electron transport through sin ...... cts in ab initio calculations.
@en
Electron transport through sin ...... cts in ab initio calculations.
@nl
prefLabel
Electron transport through sin ...... cts in ab initio calculations.
@en
Electron transport through sin ...... cts in ab initio calculations.
@nl
P2860
P356
P1476
Electron transport through sin ...... ects in ab initio calculations
@en
P2093
San-Huang Ke
Weitao Yang
P2860
P304
P356
10.1063/1.2770718
P407
P577
2007-10-01T00:00:00Z