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

232 citations · 302 across the 2 of their papers we have counts for

collaborators

2 papers

physics.chem-ph2008★ 70 cited

Hot electron mediated desorption rates calculated from excited state potential energy surfaces

Thomas Olsen, Jeppe Gavnholt, Jakob Schiøtz

We present a model for Desorption Induce by (Multiple) Electronic Transitions (DIET/DIMET) based on potential energy surfaces calculated with the Delta Self-Consistent Field extens…

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…