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An accurate intermolecular potential for argon

J. Chem. Phys. 67, 5719 (1977); doi:10.1063/1.434827

Issue Date: 15 December 1977

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R. A. Aziz and H. H. Chen
Department of Physics, University of Waterloo, Waterloo, Ontario, Canada
A simple precise intermolecular potential is proposed for argon. It was fit to new precise spectroscopic data for the argon dimer and the high temperature viscosity correlation of Maitland and Smith. The long range interaction was constrained within the bounds of Tang et al. and the ''Hartree–Fock component'' constrained close to the ab initio SCF calculations at short range due to Wahl. The potential is able to predict many other properties with high precision. The Journal of Chemical Physics is copyrighted by The American Institute of Physics.
Permalink: http://link.aip.org/link/?JCPSA6/67/5719/1
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PACS

  • 34.20.Be
    Atomic and molecular collision processes and interactions Interatomic and intermolecular potentials and forces General potential functions and intermediate-range forces
  • 31.70.Fn
    Electronic structure of atoms and molecules: theory Effects of molecular interactions on electronic structure Potential energy surfaces for chemical reactions and collisions
  • YEAR: 1977

PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
Publisher:
AIP is a member of CrossRef AIP

REFERENCES (42)
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  1. E. A. Colbourn and A. E. Douglas, J. Chem. Phys. 65, 1741 (1976).
  2. J. A. Barker, R. A. Fisher, and R. O. Watts, Mol. Phys. 21, 657 (1971).
  3. J. M. Parson, P. E. Siska, and Y. T. Lee, J. Chem. Phys. 56, 1511 (1972).
  4. R. A. Aziz, Chem. Phys. Lett. 28, 47 (1974).
  5. K. T. Tang, J. M. Norbeck, and P. R. Certain, J. Chem. Phys. 64, 3063 (1976).
  6. A. C. Wahl and W. J. Stevens, unpublished calculation reported in part as Ref. 26 by T. L. Gilbert, O. C. Simpson, and M. A. Williamson, J. Chem. Phys. 63, 4061 (1975).
  7. A. C. Wahl (private communication).
  8. R. Ahlrichs, P. Penco, and G. Scoles, Chem. Phys. 19, 119, (1976).
  9. A. Thakkar and V. H. Smith, J. Phys. B 7, L321 (1974).
  10. I. Amdur and E. A. Mason, J. Chem. Phys. 22, 670 (1954).
  11. P. J. Leonard, M.Sc. Thesis, Melbourne, 1967.
  12. Y. Tanaka and K. Yoshino, J. Chem. Phys. 57, 2964 (1972).
  13. T. L. Gilbert, O. C. Simpson, and M. A. Williamson, J. Chem. Phys. 63, 4061 (1975).
  14. G. C. Maitland and E. B. Smith, J. Chem. Eng. Data 17, 150 (1972).
  15. F. A. Guevara, B. B. McInteer, and W. E. Wageman, Phys. Fluids 12, 2493 (1969).
  16. M. Goldblatt, F. A. Guevara, and B. B. McInteer, Phys. Fluids 13, 2873 (1970).
  17. F. A. Guevara and G. Stensland, Phys. Fluids 14, 746 (1971).
  18. R. A. Dawe and E. B. Smith, J. Chem. Phys. 52, 693 (1970).
  19. A. S. Kalelkar and J. Kestin, J. Chem. Phys. 52, 4248 (1970).
  20. J. Kestin, S. T. Ro, and W. A. Wakeham, J. Chem. Phys. 56, 4119 (1972).
  21. J. T. R. Watson, Nat. Eng. Lab. Rep. No. 516, East Kilbride, Scotland, 1972.
  22. H. J. M. Hanley, J. Phys. Chem. Ref. Data 2, 619 (1974).
  23. H. J. M. Hanley and M. J. Klein, J. Phys. Chem. 76, 1743 (1972).
  24. A. Michels, J. M. Levelt, and W. de Graaf, Physica Grav. 24, 659 (1958).
  25. A. Michels, Hub. Wijker, and Hk. Wijker, Physica Grav. 15, 627 (1949).
  26. J. Brewer, Air Force Office of Scientific Research, No. 67–2795, 1967.
  27. B. Schramm and U. Hebgen, Chem. Phys. Lett. 29, 137 (1974).
  28. Von R. Hahn, K. Schäfer, and B. Schramm, Ber. Bunsenges. Phys. Chem. 78, 287 (1974).
  29. J. A. Barker, J. Chem. Phys. 63, 2767 (1975).
  30. J. H. Dymond and E. B. Smith The Virial Coefficients of Gases (Oxford U.P., London, 1969).
  31. J. W. Haarman, AIP Conf. Proc. 11, 193 (1973).
  32. J. J. de Groot, J. Kestin, and H. Sookiazian, Physica (Utrecht) 75, 454 (1974).
  33. J. J. Healy, J. J. de Groot, and J. Kestin, Physica (Utrecht) C 82, 392 (1976).
  34. S. H. P. Chen and S. C. Saxena, Mol. Phys. 29, 455 (1975).
  35. H. F. Vugts, A. J. H. Boerboom, and J. Los, Physica (Utrecht) 44, 219 (1969).
  36. F. Hutchinson, J. Chem. Phys. 17, 1081 (1949).
  37. W. L. Taylor and S. Weissman, J. Chem. Phys. 59, 1190 (1973).
  38. W. L. Taylor, J. Chem. Phys. 62, 3837 (1975).
  39. H. Johnston and E. R. Grilly, J. Phys. Chem. 46, 948 (1942).
  40. J. H. Dymond and B. J. Alder, J. Chem. Phys. 51, 309 (1969).
  41. E. A. Mason and L. Monchick, Chem. Phys. Lett. 34, 427 (1975).
  42. P. Rol (private communication).

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