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Molecular dynamics simulations of nanoscale metal tips under electric fields

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

Book ID
104069938
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
834 KB
Volume
269
Category
Article
ISSN
0168-583X

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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