Electron Transport through Single Molecules: Scattering Treatment Using Density Functional and Green Function Theories

• DOI: 10.1021/jp003033+
• Publication Date: 2002-07-26T04:54:23Z
• Authors: Pedro A. Derosa; Jorge M. Seminario
• Keywords: Electron scattering

Green function and density functional theories are used to study electron transport characteristics through single molecules addressed by two metallic contacts. Each contact is modeled with one nan...