Revisiting infinite lattice sums with the periodic fast multipole method

Journal of Chemical Physics

Volumn 121, Issue 7, 2004, Pages 2886-2890

  Kudin, Konstantin N ^a   Scuseria, Gustavo E ^a  

^a RICE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTROSTATIC INTERACTIONS; FAST MULTIPOLE METHOD (FMM); GAUSSIAN FUNCTIONS; LATTICE SUMS;

ALGORITHMS; COMPUTATIONAL METHODS; ELECTRONIC STRUCTURE; ELECTROSTATICS; MATHEMATICAL OPERATORS; NUMERICAL METHODS; PROBLEM SOLVING; VECTORS;

LATTICE CONSTANTS;

EID: 4344711731     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1771634     Document Type: Article

References (21)

1. L. Greengard and V. Rokhlin, J. Comput. Phys. 73, 325 (1987).
2. L. Greengard, The Rapid Evaluation of Potential Fields in Particle Systems (MIT Cambridge, MA, 1987).
3. E. L. Pollock and J. Glosli, Comput. Phys. Commun. 95, 93 (1996).
4. S. F. Boys, Proc. R. Soc. London, Ser. A 200, 542 (1950).
5. M. C. Strain, G. E. Scuseria, and M. J. Frisch, Science 271, 51 (1996).
6. J. C. Burant, M. C. Strain, G. E. Scuseria, and M. J. Frisch, Chem. Phys. Lett. 248, 43 (1996).
7. K. N. Kudin and G. E. Scuseria, Chem. Phys. Lett. 283, 61 (1998).
8. K. N. Kudin and G. E. Scuseria, Chem. Phys. Lett. 289, 611 (1998).
9. K. N. Kudin and G. E. Scuseria, J. Chem. Phys. 111, 2351 (1999).
10. K. N. Kudin and G. E. Scuseria, Phys. Rev. B 61, 5141 (2000).
11. K. N. Kudin and G. E. Scuseria, Phys. Rev. B 61, 16440 (2000).
12. C. A. White, B. G. Johnson, P. W. M. Gill, and M. Head-Gordon, Chem. Phys. Lett. 230, 8 (1994).
13. C. A. White, B. G. Johnson, P. M. W. Gill, and M. Head-Gordon, Chem. Phys. Lett. 253, 268 (1996).
14. J. M. Perez-Jorda and W. Yang, J. Chem. Phys. 107, 1218 (1997).
15. C. H. Choi, K. Ruedenberg, and M. S. Gordon, J. Comput. Chem. 22, 1484 (2001).
16. M. Tobita, S. Hirata, and R. J. Bartlett, J. Chem. Phys. 118, 5776 (2003).
17. K. E. Schmidt and M. A. Lee, J. Stat. Phys. 63, 1223 (1991); 87, 955(E) (1996).
18. K. E. Schmidt and M. A. Lee, J. Stat. Phys. 63, 1223 (1991); 87, 955(E) (1996).
19. B. R. A. Nijboer and F. W. De Wette, Physica (Amsterdam) 23, 309 (1957).
20. F. Figueirido, R. M. Levy, R. Zhou, and B. Berne, J. Chem. Phys. 106, 9835 (1997); 107, 7002(E) (1997).
21. F. Figueirido, R. M. Levy, R. Zhou, and B. Berne, J. Chem. Phys. 106, 9835 (1997); 107, 7002(E) (1997).