most citedRobust non-adiabatic molecular dynamics for metals and insulators

21 citations · 21 across the 1 of their papers we have counts for

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1 paper

cond-mat.mtrl-sci2007★ 21 cited

Robust non-adiabatic molecular dynamics for metals and insulators

L. Stella, M. Meister, A. J. Fisher +1

We present a new formulation of the correlated electron-ion dynamics (CEID) scheme, which systematically improves Ehrenfest dynamics by including quantum fluctuations around the me…