most citedDelta Self-Consistent Field as a method to obtain potential energy surfaces of excited molecules on surfaces

232 citations · 233 across the 2 of their papers we have counts for

collaborators

2 papers

cond-mat.mes-hall2009★ 1 cited

Atomistic theory for the damping of vibrational modes in mono-atomic gold chains

Mads Engelund, Mads Brandbyge, Antti-Pekka Jauho

We develop a computational method for evaluating the damping of vibrational modes in mono-atomic metallic chains suspended between bulk crystals under external strain. The damping…

cond-mat.mtrl-sci2008★ 232 cited

Delta Self-Consistent Field as a method to obtain potential energy surfaces of excited molecules on surfaces

Jeppe Gavnholt, Thomas Olsen, Mads Engelund +1

We present a modification of the SCF method of calculating energies of excited states, in order to make it applicable to resonance calculations of molecules adsorbed on metal su…