Ab Initio Molecular Dynamics Simulations
Author:
Affiliation:
1. Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104-6323
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,General Engineering
Link
https://pubs.acs.org/doi/pdf/10.1021/jp960480%2B
Reference86 articles.
1. Unified Approach for Molecular Dynamics and Density-Functional Theory
2. Self-Consistent Equations Including Exchange and Correlation Effects
3. Inhomogeneous Electron Gas
4. Crystal Structure of Ordered White Phosphorus(β-P)
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