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Quantum mechanics and phase transitions in small noble-gas clusters

  • G. Franke
  • E. Hilf
  • L. Polley
Article

Abstract

The quantum-statistical properties of Argon clusters are calculated applying a Path-Integral Monte-Carlo (PIMC) method. Results for pair correlation functions and kinetic-and configurational energy expectations for various cluster sizes and temperatures are presented. Physical phenomena such as ground-state kinetic energy and quantum admixture of different atomic configurations are studied and experiences with the method are given. In particular, the relation between metastable cluster states and phase transitions is discussed.

PACS

36.40 

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References

  1. 1.
    Abraham, F.F.: Homogenous nucleation theory. New York, London: Academic Press 1974Google Scholar
  2. 2.
    Barber, M.N.: Phase transitions and critical phenomena. In: Domb, C., Lebowitz, J.L. (eds.), Vol. 8. London: Academic Press 1983Google Scholar
  3. 3.
    Hoare, M.R.: Adv. Chem. Phys.40, 49 (1979)Google Scholar
  4. 4.
    Hoare, M.R., Pal, P.: Adv. Chem. Phys.20, 161 (1971)Google Scholar
  5. 5.
    Kim, G.D., Stein, S.S.: J. Coll. Interf. Science87, 180 (1982)Google Scholar
  6. 6.
    Farges, J., de Feraudy, M.F., Raoult, B., Torchet, G.: Surf. Sci.156, 370 (1985)Google Scholar
  7. 7.
    Sáenz, J.J., Soler, J.M., García, N.: Chem. Phys. Lett.114, 15 (1985)Google Scholar
  8. 8.
    Briant, C.L., Burton, J.J.: J. Chem. Phys.63, 2045 (1975)Google Scholar
  9. 9.
    Jellinek, J., Beck, T.L., Berry, S.: J. Chem. Phys.84, 2783 (1986)Google Scholar
  10. 10.
    Davis, H.L., Jellinek, J., Berry, S.: J. Chem. Phys.86, 6456 (1987)Google Scholar
  11. 11.
    Amar, F.G., Berry, R.S.: J. Chem. Phys.85, 5943 (1986)Google Scholar
  12. 12.
    Polymeropoulos, E.E., Brickmann, J., Jansen, L., Block, R.: Phys. Rev.A30, 1593 (1984)Google Scholar
  13. 13.
    Blaisten-Barojas, E., Andersen, H.C.: Surf. Sci.156, 548 (1985)Google Scholar
  14. 14.
    Lee, J.K., Barker, J.A., Abraham, F.F.: J. Chem. Phys.58, 3166 (1973)Google Scholar
  15. 15.
    Etters, R.D., Kaelberer, J.: J. Chem. Phys.66, 5112 (1977)Google Scholar
  16. 16.
    Garcia, N.G., Soler, J.M.: Phys. Rev. Lett.47, 186 (1981)Google Scholar
  17. 17.
    Quirke, N., Sheng, P.: Chem. Phys. Lett.110, 63 (1984)Google Scholar
  18. 18.
    Berry, R.S., Jellinek, J., Natanson, G.: Chem. Phys. Lett107, 227 (1984)Google Scholar
  19. 19.
    Träger, F., zu Putlitz, G. (eds.): Metal clusters. Berlin, Heidelberg, New York: Springer 1986Google Scholar
  20. 20.
    Baltes, H.P., Hilf, E.R.: Spectra of finite systems. Mannheim, Zürich: B.I. Wissenschaftsverlag 1976Google Scholar
  21. 21.
    Jacucci, G.: MC-methods in quantum problems. In: Kalos, M.H. (eds.): Dordrecht, Boston, Lancaster: D. Reidel 1984Google Scholar
  22. 22.
    Doll, J.D., Freeman, D.L.: J. Chem. Phys.82, 465 (1985)Google Scholar
  23. 23.
    Franke, G.: In: PDMS and clusters. Lecture Notes in Physics 269. Hilf, E., Kammer, F., Wien, K. (eds.), Berlin, Heidelberg, New York: Springer 1987Google Scholar
  24. 24.
    Watts, R., McGee, J.: Liquid state chemical physics. New York, Chichester, Brisbane, Toronto: J. Wiley 1976Google Scholar
  25. 25.
    Jansen, L., Block, R.: PDMS and clusters. Lecture Notes in Physics 269. Berlin, Heidelberg, New York: Springer (1987)Google Scholar
  26. 26.
    Barker, J.A.: Mol. Phys.57, 755 (1986)Google Scholar
  27. 27.
    Haberland, H.: Surf. Sci.156, 305 (1985)Google Scholar
  28. 28.
    Böhmer, H.U., Peyerimhoff, S.D.: Z. Phys. D — Atoms, Molecules and Clusters3, 195 (1986)Google Scholar
  29. 29.
    Feynman, R.P., Hibbs, A.R.: Quantum mechanics and path integrals, New York: McGraw Hill 1965Google Scholar
  30. 30.
    Metropolis, N., Rosenbluth, A.W., Rosenbluth M.N., Teller, E.: J. Chem. Phys.21, 1087 (1953)Google Scholar
  31. 31.
    With classical methods, such calculations have been done by Böhmer, H.U., Peyerimhoff, S.D.: Z. Phys. D — Atoms, Molecules and Clusters8, 91 (1988)Google Scholar

Copyright information

© Springer-Verlag 1988

Authors and Affiliations

  • G. Franke
    • 1
  • E. Hilf
    • 1
  • L. Polley
    • 1
  1. 1.Fachbereich PhysikUniversität OldenburgOldenburgGermany

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