Conference paper
Electronic transport in molecular devices from first principles
M. Di Ventra, N.D. Lang, et al.
ICCN 2001
The relationship between the van der Waals description of the binding of rare-gas atoms to metal surfaces and the description using a local approximation for exchange-correlation effects is discussed. The local-density treatment is shown to provide a good account of recent data on atomic binding energy, dipole moment, and core-level binding-energy shift. Charge rearrangement maps are used to analyze bond formation and to discuss the validity of the image picture of core-hole screening. © 1981 The American Physical Society.
M. Di Ventra, N.D. Lang, et al.
ICCN 2001
N.D. Lang, J.K. Nørskov
Physica Scripta
N.D. Lang, A. Yacoby, et al.
Physical Review Letters
N.D. Lang, W. Kohn
Physical Review B