536 citations · 1.7k across the 19 of their papers we have counts for
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cond-mat.mtrl-sci2007★ 128 cited
Efficient formalism for large scale ab initio molecular dynamics based on time-dependent density functional theory
J. L. Alonso, Xavier Andrade, Pablo Echenique +3
A new "on the fly" method to perform Born-Oppenheimer ab initio molecular dynamics (AIMD) is presented. Inspired by Ehrenfest dynamics in time-dependent density functional theory,…
cond-mat.mtrl-sci2007★ 119 cited
A time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities
Xavier Andrade, Silvana Botti, Miguel A. L. Marques +1
We present an efficient perturbative method to obtain both static and dynamic polarizabilities and hyperpolarizabilities of complex electronic systems. This approach is based on th…