71 citations · 332 across the 18 of their papers we have counts for
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cond-mat.mtrl-sci2010
The isotope-effect in the phase transition of KDP: New insights from ab initio path-integral simulations
Varadharajan Srinivasan, Roberto Car, Daniel Sebastiani
We investigate the quantum-mechanical localization of protonated and deterated isotopes in the symmetric low-barrier hydrogen-bonds of potassium dihydrogen phosphate (KDP) crystals…
cond-mat.mtrl-sci2004
Long-range electronic interactions between adatoms on transition metal surfaces
V. S. Stepanyuk, L. Niebergall, A. N. Baranov +2
Ab initio calculations of surface-state mediated interactions between Cu adatoms on transition metal surfaces are presented. We concentrate on Co/Cu(111) and Co(0001) substrates an…