Determination of effective pair interactions from the structure factor

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics

Volumn 70, Issue 2 1, 2004, Pages

  Almarza, N G ^a   Lomba, E ^a   Molina, D ^a  

^a INSTITUTO DE QUÍMICA FÍSICA ROCASOLANO   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; CHEMICAL BONDS; COMPUTER SIMULATION; FOURIER TRANSFORMS; HAMILTONIANS; MATHEMATICAL MODELS; PROBLEM SOLVING; SELENIUM; THERMODYNAMICS; X RAY DIFFRACTION;

PAIR DISTRIBUTION FUNCTIONS (PDF); PAIR INTERACTIONS; REVERSE MONTE CARLO (RMC) TECHNIQUE; TIGHT-BINDING MOLECULAR DYNAMICS (TBMD);

MOLECULAR DYNAMICS;

EID: 37649030578     PISSN: 15393755     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevE.70.021203     Document Type: Article

References (18)

1. R.L. Henderson, Phys. Lett. 49A, 197 (1974).
2. M.D. Johnson, P. Hutchinson, and N.H. March, Proc. R. Soc. London, Ser. A 282, 283 (1964).
3. W.S. Howells and J.E. Enderby, J. Phys. C 5, 1277 (1972).
4. G. Kahl, B. Bildstein, and Y. Rosenfeld, Phys. Rev. E 54, 5391 (1996).
5. D. Levesque, J.J. Weis, and L. Reatto, Phys. Rev. Lett. 54, 451 (1985).
6. A.K. Soper, Chem. Phys. 202, 295 (1996).
7. A.P. Lyubartsev and A. Laaksonen, Phys. Rev. E 52, 3730 (1995).
8. T. Yamaguchi, K. Hidaka, and A.K. Soper, Mol. Phys. 96, 1159 (1999).
9. R.L. McGreevy and L. Pusztai, Mol. Simul. 1, 369 (1988).
10. P. Jedlovsky, I. Bako, G. Palinkas, and A.K. Soper, J. Chem. Phys. 105, 245 (1996).
11. G. Toth, J. Chem. Phys. 115, 4770 (2001).
12. G. Toth, J. Chem. Phys. 118, 3949 (2003).
13. N.G. Almarza and E. Lomba, Phys. Rev. E 68, 011202 (2003).
14. D. Molina, E. Lomba, and G. Kahl, Phys. Rev. B 60, 6372 (1999).
15. J.P. Hansen and I.R. McDonald, Theory of Simple Liquids (Academic, Oxford, 1986), pp. 97-99.
16. M.P. Allen and D.J. Tildesley, Computer Simulation of Liquids (Clarendon, Oxford, 1986), pp. 118-123.
17. D. Frenkel D. and B. Smit, Understanding Molecular Simulation (Academic, New York, 1996), pp. 19-52.
18. L. Verlet, Phys. Rev. 165, 202 (1968).