Modified Ehrenfest Formalism for Efficient Large-Scale ab initio Molecular Dynamics

Published 2009 View Full Article

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Title
Modified Ehrenfest Formalism for Efficient Large-Scale ab initio Molecular Dynamics
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 5, Issue 4, Pages 728-742
Publisher
American Chemical Society (ACS)
Online
2009-03-21
DOI
10.1021/ct800518j

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