activity
20072019
most citedAb initio vibrational free energies including anharmonicity for multicomponent alloys

127 citations · 205 across the 5 of their papers we have counts for

collaborators
Showing cond-mat.str-elShow all

1 paper · 1 filter

cond-mat.str-el2007★ 34 cited

Variational QMC study of a Hydrogen atom in jellium with comparison to LSDA and LSDA-SIC solutions

Andrew I. Duff, James F. Annett

A Hydrogen atom immersed in a finite jellium sphere is solved using variational quantum Monte Carlo (VQMC). The same system is also solved using density functional theory (DFT), in…