Local Energy Dissipation/Transition in Field Effect Molecular Nanoelectronic Systems: a Quantum Mechanical Methodology

Reza Safari,Hassan Sabzyan

Fig. 8 (Color online) (a) Size of the electric dipole moment vector and its components (in Debye) at various EF strengths, and (b) electric field effects on the energies of the occupied (O) and virtual (V) molecular orbitals, calculated for the E-M$_{2}$-E molecular device at DFT-B3LYP/6-31G* level of theory using LANL2DZ basis set and pseudopotential for gold atoms.