Fast Ewald sums for general van der Waals potentials

Journal of Computational Chemistry

Volumn 18, Issue 11, 1997, Pages 1365-1370

  Chen, Zhuo Min ^a,b   Çaǧin, Tahir ^a   Goddard III, William A ^a  

^a California Institute of Technology   (United States)

^b PFIZER INC   (United States)

Author keywords

Coulomb; Ewald; Periodic summary conditions; van der Wares

Indexed keywords

EID: 0345234849     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(199708)18:11<1365::AID-JCC4>3.0.CO;2-J     Document Type: Article

References (12)

1. M. P. Allen and D. J. Tildesley, in Computer Simulation of Liquids, Oxford University Press, Oxford, UK, 1987, pp. 155-162.
2. L. Verlet, Phys. Rev., 159, 98 (1967).
3. H. Ding, N. Karasawa, and W. A. Goddard III, Chem. Phys. Lett., 193, 197 (1992).
4. M. P. Tosi, Solid State Phys., 16, 107 (1964).
5. N. Karasawa and W. A. Goddard III, J. Phys. Chem., 93, 7320 (1989).
6. H. Q. Ding, N. Karasawa, and W. A. Goddard III, Chem. Phys. Lett., 196, 6 (1992).
7. E. R. Cowley, G. Jacucci, M. L. Klein, and I. R. MacDonald, Phys. Rev. B, 14, 1758 (1976).
8. J. G. Kirkwood, J. Chem. Phys., 3, 300 (1935); R. W. Zwanzig, J. Chem. Phys., 22, 1420 (1954); G. M. Torrie and J. P. Valleau, Chem. Phys. Lett., 28, 578 (1974).
9. J. G. Kirkwood, J. Chem. Phys., 3, 300 (1935); R. W. Zwanzig, J. Chem. Phys., 22, 1420 (1954); G. M. Torrie and J. P. Valleau, Chem. Phys. Lett., 28, 578 (1974).
10. J. G. Kirkwood, J. Chem. Phys., 3, 300 (1935); R. W. Zwanzig, J. Chem. Phys., 22, 1420 (1954); G. M. Torrie and J. P. Valleau, Chem. Phys. Lett., 28, 578 (1974).
11. From Molecular Simulation, Inc., San Diego, CA.
12. S. L. Mayo, B. D. Olafson, and W. A. Goddard III, J. Phys. Chem., 94, 8897 (1990).