Asymptotic convergence for iterative optimization in electronic structure

Physical Review B - Condensed Matter and Materials Physics

Volumn 61, Issue 19, 2000, Pages 12772-12785

  Lippert, Ross A ^a   Sears, Mark P ^a  

^a SANDIA NATIONAL LABORATORIES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 17044424712     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.61.12772     Document Type: Article

References (12)

1. M. P. Teter, M. C. Payne, and D. C. Allan, Phys. Rev. B 40, 12 255 (1989).
2. F. Mauri, G. Galli, and R. Car, Phys. Rev. B 47, 9973 (1993).
3. P. Ordejón, D. A. Drabold, M. P. Grumach, and R. M. Martin, Phys. Rev. B 48, 14 646 (1993).
4. E. B. Stechel, A. R. Williams, and P. J. Feibelman, Phys. Rev. B 49, 10 088 (1994).
5. X.-P. Li, R. W. Nunes, and D. Vanderbilt, Phys. Rev. B 47, 10 891 (1992).
6. A. E. Carlsson, Phys. Rev. B 51, 13 935 (1995).
7. D. R. Bowler and M. J. Gillan (unpublished).
8. R. A. Lippert and M. P. Sears, Report SAND99-2986 (Sandia National Laboratories, Albuquerque, NM, 1999).
9. A. Edelman and S. T. Smith, BIT 36, 494(1996).
10. A. Edelman, T. A. Arias, and S. T. Smith, SIAM J. Matrix Anal. Appl. 20(2), 303 (1999).
11. R. McWeeny, Rev. Mod. Phys. 32, 335 (1960).
12. R. A. Lippert and A. Edelman, edited by Z. Bai, Templates for the Solution of Algebraic Eigenvalue Problems: A Practical Guide. SIAM, 2000 (to be published).