Ab initiomolecular dynamics with variable cell shape: Application toMgSiO3
Author:
Publisher
American Physical Society (APS)
Subject
General Physics and Astronomy
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevLett.70.3947/fulltext
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1. Unified Approach for Molecular Dynamics and Density-Functional Theory
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