Year: 2012
Type: preprint
Abstract: 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.
Source: arXiv (Cornell University)
Authors: Alznauer, Tobias, Frank, Irmgard
Institution: Leibniz University Hannover
Language: English
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W1552043701