Constrained-DFT method for accurate energy-level alignment of metal/molecule interfaces
Souza, A. M. ; Rungger, I. ; Pemmaraju, C. D. ; Schwingenschloegl, U. ; Sanvito, S.
Physical review. B, Condensed matter and materials physics, 2013-10, Vol.88 (16), Article 165112 [Periódico revisado por pares]Texto completo disponível