Ab initiomolecular dynamics: Analytically continued energy functionals and insights into iterative solutions
Author:
Publisher
American Physical Society (APS)
Subject
General Physics and Astronomy
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevLett.69.1077/fulltext
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1. Unified Approach for Molecular Dynamics and Density-Functional Theory
2. Ab initiotheory of the Si(111)-(7×7) surface reconstruction: A challenge for massively parallel computation
3. Solution of Schrödinger’s equation for large systems
4. Calculation of the vacancy formation energy in aluminium
5. Ab initiomolecular-dynamics techniques extended to large-length-scale systems
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