Finite Difference Schemes and Block Rayleigh Quotient Iteration for Electronic Structure Calculations on Composite Grids-Reference-Cited by-同舟云学术

Finite Difference Schemes and Block Rayleigh Quotient Iteration for Electronic Structure Calculations on Composite Grids

Published:1999-02 Issue:1 Volume:149 Page:75-94
ISSN:0021-9991
Container-title:Journal of Computational Physics
language:en
Short-container-title:Journal of Computational Physics

Author:

Fattebert Jean-Luc

Publisher

Elsevier BV

Subject

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

Reference32 articles.

1. Structural transitions in metal clusters;Bernholc;Faraday Soc. Discuss. Chem. Soc.,1991

2. Finite-difference-pseudopotential method: Electronic structure calculations without a basis;Chelikowsky;Phys. Rev. Lett.,1994

3. Large scale electronic structure calculations with multigrid acceleration;Briggs;Phys. Rev. B,1995

4. Real-space multigrid-based approach to large-scale electronic structure calculations;Briggs;Phys. Rev. B,1996

5. An inverse iteration method using multigrid for quantum chemistry;Fattebert;BIT,1996

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