First principles molecular dynamics without self-consistent...

The Journal of Chemical Physics 2014 / 01 Vol. 140; Iss. 4

First principles molecular dynamics without self-consistent field optimization

Souvatzis, Petros, Niklasson, Anders M. N.
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Volume:
140
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.4862907
Date:
January, 2014
File:
PDF, 1.82 MB
english, 2014
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