We solve the problem of applying an external field in periodic boundary conditions by choosing a sine potential. We present an implementation in the Car-Parrinello molecular dynamics code (CPMD) and discuss applications to electron and ion transfers in complex molecular systems.
Cite
@article{arxiv.1208.4976,
title = {Car-Parrinello Molecular Dynamics With A Sinusoidal Time-Dependent Potential Field},
author = {Tobias Alznauer and Irmgard Frank},
journal= {arXiv preprint arXiv:1208.4976},
year = {2013}
}