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Atomistic modeling of metal surfaces under electric fields: Direct coupling of electric fields to a molecular dynamics algorithm

โœ Scribed by Djurabekova, F.; Parviainen, S.; Pohjonen, A.; Nordlund, K.

Book ID
120996231
Publisher
The American Physical Society
Year
2011
Tongue
English
Weight
591 KB
Volume
83
Category
Article
ISSN
1063-651X

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We develop a numerical calculation scheme of a dynamics of the quantum network for linear molecular aggregates under time-dependent electric fields. Each molecule is assumed to be an electric dipole arranged linearly with an arbitrary angle from the longitudinal axis. This approximation is considere