Ab initio quantum dynamics with very weak van der Waals interactions: Structure and stability of small Li2(1∑g +)n clusters

Journal of Chemical Physics

Volumn 120, Issue 19, 2004, Pages 9160-9166

  Bodo, E ^a   Sebastianelli, F ^a   Gianturco, F A ^a   Yurtsever, E ^b   Yurtsever, M ^c  

^a SAPIENZA UNIVERSITY OF ROME   (Italy)

^b KOÇ UNIVERSITY   (Turkey)

^c ISTANBUL TECHNICAL UNIVERSITY   (Turkey)

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPY; BINDING ENERGY; ENERGY TRANSFER; GROUND STATE; INFORMATION ANALYSIS; LIGHT SCATTERING; LITHIUM; NANOSTRUCTURED MATERIALS; POTENTIAL ENERGY; PROBABILITY; ROTORS; SPECTROSCOPIC ANALYSIS; VAN DER WAALS FORCES;

ELECTRONIC STATES; POTENTIAL ENERGY SURFACES (PES); QUANTUM CALCULATIONS; SPATIAL ARRANGEMENTS;

QUANTUM THEORY;

EID: 2942536224     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1701834     Document Type: Article

References (30)

1. K. B. Whaley, in Advances in Molecular Vibrations and Collision Dynamics, edited by J. Bowman (JAI, Stamford, CT, 1998), Vol. 3, pp. 397-451.
2. J. P. Toennies and A. F. Vilesov, Annu. Rev. Phys. Chem. 49, 1 (1998).
3. Y. Kwon, P. Huang, M. V. Patel, D. Blume, and K. B. Whaley, J. Chem. Phys. 113, 6469 (2000).
4. F. Stienkenmeier, J. Higgins, C. Callegari, S. Kanorsky, W. E. Ernst, and G. Scoles, Z. Phys. D: At., Mol. Clusters 38, 253 (1996).
5. F. Dalfovo, Z. Phys. D: At., Mol. Clusters 29, 61 (1994).
6. F. Stienkenmeier, W. E. Ernst, J. Higgins, and G. Scoles, J. Chem. Phys. 102, 615 (1995).
7. F. Stienkenmeier, J. Higgins, W. E. Ernst, and G. Scoles, Phys. Rev. Lett. 74, 3592 (1995).
8. M. Fuchs and J. P. Toennies, J. Chem. Phys. 85, 7062 (1986).
9. H. G. Rubahn, J. Chem. Phys. 92, 5384 (1990).
10. H. G. Rubahn and K. Bergmann, Annu. Rev. Phys. Chem. 41, 735 (1990).
11. F. A. Gianturco, S. Serna, G. Delgado-Barrio, and P. Villareal, J. Chem. Phys. 95, 5024 (1991).
12. M. J. Frisch, G. W. Trucks, H. B. Schlegel et al., GAUSSIAN 98, Revision A.7, Gaussian, Inc., Pittsburgh, PA, 1998.
13. E. Bodo, F. A. Gianturco, F. Sebastianelli, E. Yurtsever, and M. Yurtsever, Theochem (to be published).
14. D. Cvetko, A. Lansi, A. Morgante, F. Tommasini, P. Cortona, and M. G. Dondi, J. Chem. Phys. 100, 2052 (1994).
15. J. Yuan and C. D. Lin, J. Phys. B 31, L637 (1998).
16. I. Baccarelli, G. Delgado-Barrio, F. A. Gianturco, T. Gonzalez-Lezana, S. Miret-Artes, and P. Villarreal, Phys. Chem. Chem. Phys. 2, 4067 (2000).
17. L. D. Landau and E. M. Lifshitz, Quantum Mechanics, 3rd ed. (Butterworths-Heinemann, London, 1991), Vol. 3.
18. F. Sebastianelli, F. A. Gianturco, and E. Yurtsever, Int. J. Mass Spectrom. Ion Processes 220, 193 (2002).
19. D. M. Ceperly and B. Alder, Science 231, 555 (1986).
20. W. A. Lester and B. L. Hammond, Annu. Rev. Phys. Chem. 41, 283 (1990).
21. R. N. Barnett, R. J. Reynolds, and W. A. Lester, J. Comp. Phys. 96, 258 (1991).
22. M. Lewerenz and R. O. Watts, Mol. Phys. 81, 1075 (1994).
23. J. B. Anderson, Int. Rev. Phys. Chem. 14, 85 (1995).
24. M. Lewerenz, J. Chem. Phys. 104, 1028 (1996).
25. F. Paesani, F. A. Gianturco, M. Lewerenz, and J. P. Toennies, J. Chem. Phys. 111, 6897 (1999).
26. F. Paesani, F. A. Gianturco, M. Lewerenz, and J. P. Toennies, J. Chem. Phys. 112, 2239 (2000).
27. F. Paesani, F. A. Gianturco, and K. B. Whaley, J. Chem. Phys. 115, 10225 (2001).
28. F. Paesani and F. A. Gianturco, J. Chem. Phys. 116, 10170 (2002).
29. R. A. Aziz, F. R. McCourt, and C. C. K. Wond, Mol. Phys. 61, 1487 (1987).
30. M. Lewerenz, J. Chem. Phys. 106, 4596 (1997).