Very Large Electronic Structure Calculations Using an Out-of-Core Filter-Diagonalization Method-Reference-Cited by-同舟云学术

Very Large Electronic Structure Calculations Using an Out-of-Core Filter-Diagonalization Method

Published:2002-07 Issue:1 Volume:180 Page:256-269
ISSN:0021-9991
Container-title:Journal of Computational Physics
language:en
Short-container-title:Journal of Computational Physics

Author:

Toledo Sivan,Rabani Eran

Publisher

Elsevier BV

Subject

Computer Science Applications,Physics and Astronomy (miscellaneous),Applied Mathematics,Computational Mathematics,Modelling and Simulation,Numerical Analysis

Reference24 articles.

1. Iterative minimization techniques for ab initio total-energy calculations: Molecular dynamics and conjugate gradients;Payne;Rev. Mod. Phys.,1992

2. Linear scaling electronic structure methods;Goedecker;Rev. Mod. Phys.,1999

3. Modern Quantum Chemistry;Szabo,1996

4. Inhomogeneous electron gas;Honenberg;Phys. Rev.,1964

5. Self-consistent equations inclusing exchange and correlation effects;Kohn;Phys. Rev.,1965

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