Robust Ab initio calculation of condensed matter: Transparent convergence through semicardinal multiresolution analysis

Physical Review Letters

Volumn 90, Issue 21, 2003, Pages 2164021-2164024

  Daykov, I P ^a   Arias, T A ^a   Engeness, Torkel D ^b  

^a Laboratory of Atomic and Solid State Physics and Sibley School of Mechanical and Aerospace Engineering   (United States)

^b MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ELECTRONIC STRUCTURE; MAGNESIA; PROBABILITY DENSITY FUNCTION; PROBLEM SOLVING; X RAY ANALYSIS;

CONDENSED MATTER;

ATOMIC PHYSICS;

EID: 11044232477     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (32)

1. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
2. M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Rev. Mod. Phys. 64, 1045 (1992).
3. J. P. Perdew, K. Burke, and M. Ernzerhov, Phys. Rev. Lett. 77, 3865 (1996).
4. O. K. Andersen, Phys. Rev. B 12, 3060 (1975).
5. D. J. Singh, Planewaves, Pseudopotentials and the LAPW Method (Kluwer Academic Publishers, The Netherlands, 1994).
6. Handbook of Chemistry and Physics, edited by D. R. Lide and H. P. R. Frederikse (CRC Press, Boca Raton, FL, 1995-1996), 76th ed.
7. M. J. L. Sangster, G. Peckham, and D. H. Saunderson, J. Phys. C 3, 1026 (1970).
8. O. L. Andersen and P. Andreatch, Jr., J. Am. Ceram. Soc. 49, 404 (1966).
9. O. E. Taurian, M. Springborg, and N.B. Christiensen, Solid State Commun. 55, 351 (1985).
10. U. Schrömberger and F. Aryasetiawan, Phys. Rev. B 52, 8788 (1995).
11. M.J. Mehl, R. E. Cohen, and H. Krakauer, J. Geophys. Res. 93, 8009 (1988).
12. K.J. Chang and M.L. Cohen, Phys. Rev. B 30, 4774 (1984).
13. G. Cappellini, S. Bouette-Russo, B. Amadon, C. Noguera, and F. Finocchi, J. Phys. Condens. Matter 12, 3671 (2000).
14. D. J. Singh, W. E. Picket, and H. Krakauer, Phys. Rev. B 43, 11628 (1991).
15. K. Cho, T. A. Arias, J.D. Joannopoulos, and P. K. Lam, Phys. Rev. Lett. 71, 1808 (1993).
16. C. Tymczak and X.-Q. Wang, Phys. Rev. Lett. 78, 3654 (1997).
17. S. Wei and M. Y. Chou, Phys. Rev. Lett. 76, 2650 (1996).
18. S. Goedecker and O. Ivanov, Solid State Commun. 105, 665 (1998).
19. T. A. Arias, K Cho, J. D. Joannopoulos, P. Lam, and M. P. Teter, in Proceedings of the '94 Mardi Grad Conference: Toward Teraflop Computing and New Grand Challenge Applications, edited by R. K. Kalia and P. Vashishta (Nova Science Publishers, Commack, NY, 1994), pp. 25-36.
20. S. Han, K. Cho, and J. Ihm, Phys. Rev. B 60, 1437 (1999).
21. T. D. Engeness and T. A. Arias, Phys. Rev. B 65, 165106 (2002).
22. R. A. Lippert, T. A. Arias, and A. Edelman, J. Comput. Phys. 140, 278 (1998).
23. T. A. Arias, Rev. Mod. Phys. 71, 267 (1999).
24. S. Mallat, Trans. Am. Math. Soc. 315, 69 (1989).
25. Y. Meyer, lectures given at the University of Torino, Italy, 1986.
26. S. Ismail-Beigi and T. A Arias, Comput. Phys. Commun. 128, 1 (2000).
27. S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys. 58, 1200 (1980).
28. S. H. Vosko and L. Wilk, Phys. Rev. B 22, 3812 (1980).
29. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
30. T. A. Arias, M. C. Payne, and J. D. Joannopoulos, Phys. Rev. Lett. 69, 1077 (1992).
31. H.J. Monkhorst and J.D. Pack, Phys. Rev. B 13, 5188 (1976).
32. T. A. Arias and T. D. Engeness, in Computer Simulation Studies in Condensed Matter Physics XII, edited by D. P. Landau, S. P. Lewis, and H. B. Schüttler, Springer Proceedings in Physics Vol. 85 (Springer-Verlag, Heidelberg, Berlin, 2000).