Microsolvation of Li+ in bosonic helium clusters. I. Many-body effects on the structures of the small aggregates

Computational Materials Science

Volumn 35, Issue 3, 2006, Pages 261-267

  Sebastianelli, F ^a   Bodo, E ^a   Baccarelli, I ^a   Di Paola, C ^a   Gianturco, F A ^a   Yurtsever, M ^b  

^a SAPIENZA UNIVERSITY OF ROME   (Italy)

^b ISTANBUL TECHNICAL UNIVERSITY   (Turkey)

Author keywords

Ab initio calculations; Alkali helium clusters; Many body effects; Microsolvation; Structures

Indexed keywords

HELIUM; MATERIALS SCIENCE; OPTIMIZATION; POTENTIAL ENERGY;

AB INITIO CALCULATIONS; ALKALI HELIUM CLUSTERS; MANY-BODY EFFECTS; MICROSOLVATION; STRUCTURES;

LITHIUM;

EID: 28444452887     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2004.07.011     Document Type: Conference Paper

References (26)

1. For example, see M. Hartman, R.E. Miller, J.P. Toennies, and A.F. Vilesov Science 272 1996 1631
2. F. Stienkenmeier, W.E. Ernst, J. Higgins, and G. Scoles J. Chem. Phys. 102 1995 615
3. F. Stienkenmeier, J. Higgins, W.E. Ernst, and G. Scoles Phys. Rev. Lett. 74 1995 3592
4. F. Stienkenmeier, J. Higgins, C. Callegari, S. Kanorsky, W.E. Ernst, and G. Scoles Z. Phys. D: At. Mol. Clusters 38 1996 253
5. F. Dalfovo Z. Phys. D: At. Mol. Clusters 29 1994 61
6. E. Bodo, F. Sebastianelli, F.A. Gianturco, E. Yurtsever, and M. Yurtsever J. Chem. Phys. 120 2004 9160
7. A. Scheidemann, and B.S.J.P. Toennies J. Chem. Phys. 97 1993 2128
8. B.E. Callicoatt, D.D. Mar, V.A. Apkarian, and K.C. Janda J. Chem. Phys. 105 1996 7872
9. A. Scheidemann, V.V. Kresin, and H. Hess J. Chem. Phys. 107 1997 2839
10. D. Bellert, and W.H. Breckenridge Chem. Rev. 102 2002 1595
11. A.D. Koutselos, E.A. Mason, and L.A. Viehland J. Chem. Phys. 93 1990 7125
12. T. Lenzer, I. Yourshaw, M.R. Furlanetto, N.L. Pivonka, and D.M. Neumark J. Chem. Phys. 115 2001 3578
13. F. Sebastianelli, C. Di Paola, I. Baccarelli, and F.A. Gianturco J. Chem. Phys. 119 2003 8276
14. F. Sebastianelli, C. Di Paola, I. Baccarelli, and F.A. Gianturco J. Chem. Phys. 119 2003 5570
15. I. Baccarelli, F.A. Gianturco, and F. Schneider Int. J. Quantum Chem. 74 1999 193
16. F.A. Gianturco, and F. Filippone Comput. Chem. Commun. 145 2002 18
17. For example, see H.R. Skullerud, T.H. Løvaas, and K. Tsurugida J. Phys. B 32 1999 4509
18. R. Alrichs, H.J. Bohm, S. Brode, K.T. Tang, and J.P. Toennies J. Chem. Phys. 88 1988 6290
19. U.E. Seuff, and P.J. Burton Mol. Phys. 58 1986 637
20. P. Soldan, E.P.F. Lee, J. Lozeille, J.N. Murrell, and T.G. Wright Chem. Phys. Lett. 343 2001 429
21. S.F. Boys, and F. Bernardi Mol. Phys. 19 1970 533
22. T.M. Miller, and B. Bederson Adv. At. Mol. Phys. 13 1977 1
23. D.T. Colbert, and T.M. Miller J. Chem. Phys. 96 1992 1982
24. H.B.S.M.J. Frisch GAUSSIAN 03, Revision B.04 2003 Gaussian Inc. Pittsburgh, PA
25. R.A. Aziz, and M.J. Slaman J. Chem. Phys. 94 1991 8047
26. F. Sebastianelli et al., submitted for publication.