First-principle molecular dynamics calculation of selenium clusters View Full Text


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Article Info

DATE

1997-03-01

AUTHORS

K. Ueharal, M. Ishitobi, T. Oda, Y. Hiwatari

ABSTRACT

The equiliblium structures of small selenium clusters are obtained via first-principle molecular dynamics calculations based on the linearized-augmented-plane-wave (LAPW) method. Resulting equiliblium structures show a good agreement with experimental data and other firstprinciple calculations.

PAGES

472-475

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/s004600050255

DOI

http://dx.doi.org/10.1007/s004600050255

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1024405564


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