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20082016
most citedDelta Self-Consistent Field as a method to obtain potential energy surfaces of excited molecules on surfaces

232 citations · 336 across the 6 of their papers we have counts for

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cond-mat.mtrl-sci2016★ 13 cited

Search for a Metallic Dangling-Bond Wire on -doped H-passivated Semiconductor Surfaces

Mads Engelund, Nick Papior, Pedro Brandimarte +3

We have theoretically investigated the electronic properties of neutral and -doped dangling bond (DB) quasi-one-dimensional structures (lines) in the Si(001):H and Ge(001):H sub…

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…