期刊
PHYSICAL REVIEW LETTERS
卷 94, 期 18, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.94.186810
关键词
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Using time-dependent current-density functional theory, we derive analytically the dynamical exchange-correlation correction to the dc conductance of nanoscale junctions. The correction pertains to the conductance calculated in the zero-frequency limit of time-dependent density functional theory within the adiabatic local-density approximation. In particular, we show that in linear response, the correction depends nonlinearly on the gradient of the electron density; thus, it is more pronounced for molecular junctions than for quantum point contacts. We provide specific numerical examples to illustrate these findings.
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