A systematic formulation of the virial expansion for nonadditive interaction potentials

Journal of Chemical Physics

Volumn 135, Issue 8, 2011, Pages

  Hellmann, Robert ^a   Bich, Eckard ^a  

^a UNIVERSITY OF ROSTOCK   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CLUSTER DIAGRAM; EXPLICIT EXPRESSIONS; HIGH-ORDER; INTERACTION POTENTIALS; NON-ADDITIVE; NUMBER OF CLUSTERS; NUMERICAL EVALUATIONS; VIRIAL COEFFICIENT; VIRIAL EXPANSION;

COMPUTER SIMULATION;

EID: 80052392235     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3626524     Document Type: Article

References (30)

1. J. E. Mayer, J. Chem. Phys. 5, 67 (1937). 10.1063/1.1749933
2. J. E. Mayer and P. G. Ackermann, J. Chem. Phys. 5, 74 (1937). 10.1063/1.1749934
3. M. Born, Physica 4, 1034 (1937). 10.1016/S0031-8914(37)80201-3
4. B. Kahn and G. E. Uhlenbeck, Physica 4, 1155 (1937). 10.1016/S0031- 8914(37)80211-6
5. S. F. Harrison and J. E. Mayer, J. Chem. Phys. 6, 101 (1938). 10.1063/1.1750194
6. B. Kahn and G. E. Uhlenbeck, Physica 5, 399 (1938). 10.1016/S0031- 8914(38)80068-9
7. M. Born and K. Fuchs, Proc. R. Soc. London, Ser. A 166, 391 (1938). 10.1098/rspa.1938.0100
8. J. E. Mayer and S. F. Harrison, J. Chem. Phys. 6, 87 (1938). 10.1063/1.1750208
9. H. D. Ursell, Proc. Proc. Cambridge Philos. Soc. 23, 685 (1927). 10.1017/S0305004100011191
10. J. E. Mayer and M. Goeppert-Mayer, Statistical Mechanics (Wiley, New York/London, 1940), Chap. 13, pp. 277-294.
11. T. L. Hill, Statistical Mechanics Principles and Selected Applications (McGraw-Hill, New York/Toronto/London, 1956), Chap. 5, pp. 122-178.
12. J. E. Mayer, J. Chem. Phys. 10, 629 (1942). 10.1063/1.1723631
13. W. G. McMillan Jr. , and J. E. Mayer, J. Chem. Phys. 13, 276 (1945). 10.1063/1.1724036
14. S. Ono, J. Chem. Phys. 19, 504 (1951). 10.1063/1.1748260
15. C. Vega, J. M. Labaig, L. G. MacDowell, and E. Sanz, J. Chem. Phys. 113, 10398 (2000). 10.1063/1.1322637
16. N. Clisby and B. M. McCoy, J. Stat. Phys. 122, 15 (2006). 10.1007/s10955-005-8080-0
17. M. Francov, J. Kolafa, P. Morvek, S. Labk, and A. Malijevsk, Collect. Czech. Chem. Commun. 73, 413 (2008). 10.1135/cccc20080413
18. J. K. Singh and D. A. Kofke, Phys. Rev. Lett. 92, 220601 (2004). 10.1103/PhysRevLett.92.220601
19. K. M. Benjamin, A. J. Schultz, and D. A. Kofke, J. Phys. Chem. B 113, 7810 (2009). 10.1021/jp901232m
20. A. J. Schultz and D. A. Kofke, Mol. Phys. 107, 2309 (2009). 10.1080/00268970903267053
21. A. J. Schultz and D. A. Kofke, J. Chem. Phys. 133, 104101 (2010). 10.1063/1.3486085
22. E. M. Mas, V. F. Lotrich, and K. Szalewicz, J. Chem. Phys. 110, 6694 (1999). 10.1063/1.478575
23. A. Malijevsk, F. Karlick, R. Kalus, and A. Malijevsk, J. Phys. Chem. C 111, 15565 (2007). 10.1021/jp071939a
24. F. Ree and W. Hoover, J. Chem. Phys. 41, 1635 (1964). 10.1063/1.1726136
25. C. H. J. Johnson and T. H. Spurling, Aust. J. Chem. 27, 241 (1974). 10.1071/CH9740241
26. K. M. Beniamin, A. J. Schultz, and D. A. Kofke, J. Phys. Chem. B 114, 4388 (2010). 10.1021/jp101381c
27. See supplementary material at http://dx.doi.org/10.1063/1.3626524 E-JCPSA6-135-034132 for tables with the diagrams, their weights, and the number of corresponding labeled diagrams.
28. F. Harary and E. M. Palmer, Graphical Enumeration (Academic, New York, 1973), Chap. 3, p. 71.
29. The On-Line Encyclopedia of Integer Sequences., published electronically at http://oeis.org, 2010, Sequence A035053.
30. B. Jöger, R. Hellmann, E. Bich, and E. Vogel, J. Chem. Phys. 135, 084308 (2011). 10.1063/1.3627151