An efficient density-functional-theory force evaluation for...

An efficient density-functional-theory force evaluation for large molecular systems

Reine, Simen, Krapp, Andreas, Iozzi, Maria Francesca, Bakken, Vebjo̸rn, Helgaker, Trygve, Pawłowski, Filip, Sałek, Pawel
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Volume:
133
Year:
2010
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.3459061
File:
PDF, 332 KB
english, 2010
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