Linear scaling methods for electronic structure calculations and quantum molecular dynamics simulations
Author:
Publisher
Elsevier BV
Subject
General Materials Science
Reference55 articles.
1. Ab-initio iterative minimization techniques;Payne;Rev Mod Phys,1993
2. First principles of molecular dynamics;Galli,1993
3. Inhomogeneous electron gas;Hohenberg;Phys Rev B,1964
4. Self-consistent equations including exchange and correlation effects;Kohn;Phys Rev A,1965
5. Direct calculation of electron density in density-functional theory;Yang;Phys Rev Lett,1991
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