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The Weak Li2 — He Interaction Revisited: a Combined Ab-initio and Empirical Modelling.

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The potential energy surfaces (PES) for the interaction between Li2 (1∑+ g) and 4He has been computed earlier by using an accurate, post-Hartree-Fock quantum calculation for its ground electronic state and was presented in previous papers1,2. Here we report a revised version of the same interaction that we have generated using instead an empirical approach that replaces the two-body contributions in the ab-initio potential with external estimates. We have repeated Diffusion Monte Carlo calculations to obtain the quantum ground states for the Li2Hen clusters already discussed in our previous paper1 and we compare the two sets of fundings.

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References

  1. 1. E. Bodo, F. Sebastianelli, F. A. Gianturco, E. Yurtsever, and M. Yurtsever. J. Chem. Phys., 120, 9160, (2003).

    Google Scholar 

  2. 2. E. Bodo, F. A. Gianturco, F. Sebastianelli, E. Yurtsever, and M. Yurtsever. Theor. Chem. Acc., in press, (2003).

  3. 3. G. Chalasiński and M. M. Szeześniak. Chem. Rev., 100, 4227, (2000).

    Google Scholar 

  4. 4. R. A. Aziz, F. R. McCourt, and C. C. K. Wond. Mol. Phys., 61, 1487 (1987).

    Google Scholar 

  5. 5. C. Di Paola, F. A. Gianturco, G. Delgado-Barrio, S. Miret-Artes and P. Villarreal Coll. Czec. Chem. Comm., 68, 1, (2003)

    Google Scholar 

  6. 6. K. T. Tang, U. Kleinekathöfer, J. P. Toennies, and C. L. Yiu. Chem. Phys. Lett., 249, 257, (1996).

    Google Scholar 

  7. 7. J. P. Toennies and A. F. Vilesov, Angew. Chem. Int. Ed., 43, 2622, (2004).

    Google Scholar 

  8. 8. F. Stienkenmeier, J. Higgins, C. Callegari, S. Kanorsky, W. E. Ernst, and G. Scoles. Z. Phys. D: At., Mol. Clusters, 38, 253, (1996).

    Google Scholar 

  9. 9. F. Stienkenmeier, A. F. Vilesov. J. Chem. Phys., 115, 10119, (2001).

    Google Scholar 

  10. 10. F. Dalfovo. Z. Phys. D: At., Mol. Clusters, 29, 61, (1994).

    Google Scholar 

  11. 11. J. M. Hutson, BOUND Computer Code, Version 5, distributed by Collaborative Computational Project No. 6 of the Engineering and Physical Sciences Research Council (UK), (1993).

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Authors and Affiliations

  1. Dept. of Chemistry and INFM, University of Rome “La Sapienza”, Italy

    E. Bodo

  2. University of Rome “La Sapienza”, NEC, Ble A. Moro 5, 00185, Rome, Italy

    F.A. Gianturco

  3. Dept. of Chemistry, Koç University, Istanbul, Turkey

    E. Yurtsever

Authors
  1. E. Bodo
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  2. F.A. Gianturco
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  3. E. Yurtsever
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Correspondence to F.A. Gianturco.

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Bodo, E., Gianturco, F. & Yurtsever, E. The Weak Li2 — He Interaction Revisited: a Combined Ab-initio and Empirical Modelling.. J Low Temp Phys 138, 259–264 (2005). https://doi.org/10.1007/s10909-005-1560-4

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  • DOI: https://doi.org/10.1007/s10909-005-1560-4

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