Simple formula for the atomic forces in the augmented-plane-wave method
Author:
Publisher
American Physical Society (APS)
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.40.1560/fulltext
Reference17 articles.
1. Unified Approach for Molecular Dynamics and Density-Functional Theory
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3. Self-Consistent Theory of the Chemisorption of H, Li, and O on a Metal Surface
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