Ionization potentials of small lithium clusters (Lin) and hydrogenated lithium clusters (Lin H)

Journal of Chemical Physics

Volumn 122, Issue 20, 2005, Pages

  Wheeler, Steven E ^a   Schaefer III, Henry F ^a  

^a UNIVERSITY OF GEORGIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGENATED CLUSTERS; IONIZATION POTENTIAL; LITHIUM CLUSTERS; TRIPLE EXCITATION;

COMPUTATIONAL METHODS; FUNCTIONS; HYDROGEN; HYDROGENATION; IONIZATION; PERTURBATION TECHNIQUES;

LITHIUM;

EID: 20844453123     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1906207     Document Type: Article

References (59)

1. J. Jortner, Z. Phys. D: At., Mol. Clusters 24, 247 (1992).
2. W. A. deHeer, Rev. Mod. Phys. 65, 611 (1993).
3. R. Rousseau and D. Marx, Chem.-Eur. J. 6, 2982 (2000).
4. B. K. Rao and P. Jena, Phys. Rev. B 32, 2058 (1985).
5. B. K. Rao, S. N. Khanna, and P. Jena, Phys. Rev. B 36, 953 (1987).
6. I. Boustani, W. Pewestorf, P. Fantucci, V. Bonacic-Koutecký, and J. Koutecký, Phys. Rev. B 35, 9437 (1987).
7. B. K. Rao and P. Jena, Phys. Rev. B 37, 2867 (1988).
8. P. Fantucci, S. Polezzo, V. Bonacic-Koutecky, and J. Koutecký, J. Chem. Phys. 92, 6645 (1990).
9. B. K. Rao, S. N. Khanna, and P. Jena, Phys. Rev. B 43, 1416 (1991).
10. V. Bonačić-Koutecký, P. Fantucci, and J. Koutecký, Chem. Rev. (Washington, D.C.) 91, 1035 (1991).
11. V. Bonačić-Koutecký, J. Gaus, M. F. Guest, L. Cespica, P. Fantucci, and J. Koutecký, Chem. Phys. Lett. 206, 528 (1993).
12. C. Bŕchignac, H. Busch, P. Cahuzac, and J. Leygnier, J. Chem. Phys. 101, 6992 (1994).
13. V. Bonacic-Koutecký, J. Pittner, and J. Koutecký, Chem. Phys. 210, 313 (1996).
14. G. Gardet, F. Rogemond, and H. Chermette, J. Chem. Phys. 105, 9933 (1996).
15. R. Fournier, J. B. Y. Cheng, and A. Wong, J. Chem. Phys. 119, 9444 (2003).
16. C. H. Wu and R. O. Jones, J. Chem. Phys. 120, 5128 (2004).
17. K. R. S. Chandrakumar, T. K. Ghanty, and S. K. Ghosh, J. Phys. Chem. A 108, 6661 (2004).
18. C. H. Wu, J. Chem. Phys. 65, 3181 (1976).
19. C. H. Wu, J. Phys. Chem. 87, 1534 (1983).
20. D. Eisel and W. Demtröder, Chem. Phys. Lett. 88, 481 (1982).
21. R. A. Bernheim, L. P. Gold, and T. Tipton, Chem. Phys. Lett. 92, 13 (1982).
22. R. A. Bernheim, L. P. Gold, and T. Tipton, J. Chem. Phys. 78, 3635 (1983).
23. R. A. Bernheim, L. P. Gold, T. Tipton, and D. D. Konowalow, Chem. Phys. Lett. 105, 201 (1984).
24. P. Dugourd, D. Rayane, P. Labastie, B. Vezin, J. Chevaleyre, and M. Broyer, Chem. Phys. Lett. 197, 433 (1992).
25. B. Vezin, P. Dugourd, D. Rayane, P. Labastie, J. Chevaleyre, and M. Broyer, Chem. Phys. Lett. 206, 521 (1993).
26. B. Temelso and C. D. Sherrill, J. Chem. Phys. 122, 064315 (2005).
27. S. E. Wheeler, K. W. Sattelmeyer, P. v. R. Schleyer, and H. F. Schaefer, J. Chem. Phys. 120, 4683 (2004).
28. G. D. Purvis and R. J. Bartlett, J. Chem. Phys. 76, 1910 (1982).
29. G. E. Scuseria, A. C. Scheiner, T. J. Lee, J. E. Rice, and H. F. Schaefer, J. Chem. Phys. 86, 2881 (1987).
30. G. E. Scuseria, C. L. Janssen, and H. F. Schaefer, J. Chem. Phys. 89, 7382 (1988).
31. M. Rittby and R. J. Bartlett, J. Phys. Chem. 92, 3033 (1988).
32. K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 157, 479 (1989).
33. R. J. Bartlett, J. D. Watts, S. A. Kucharski, and J. Noga, Chem. Phys. Lett. 165, 513 (1990).
34. R. J. Bartlett, J. D. Watts, S. A. Kucharski, and J. Noga, Chem. Phys. Lett. 167, 609 (1990).
35. J. Gauss, W. J. Lauderdale, J. F. Stanton, J. D. Watts, and R. J. Bartlett, Chem. Phys. Lett. 182, 207 (1991).
36. T. H. Dunning, J. Chem. Phys. 90, 1007 (1989).
37. D. E. Woon and T. H. Dunning, J. Chem. Phys. 103, 4572 (1995).
38. K. A. Peterson and T. H. Dunning, J. Chem. Phys. 117, 10548 (2002).
39. K. A. Peterson (private communication).
40. J. D. Watts, J. Gauss, and R. J. Bartlett, J. Chem. Phys. 98, 8718 (1993).
41. J. D. Watts and R. J. Bartlett, J. Chem. Phys. 93, 6104 (1990).
42. U. Kaldor, Theor. Chim. Acta 80, 427 (1991).
43. D. Mukhopadhyay, S. Mukhopadhyay, R. Chaudhuri, and D. Mukherjee, Theor. Chim. Acta 80, 441 (1991).
44. C. M. L. Rittby and R. J. Bartlett, Theor. Chim. Acta 80, 469 (1991).
45. J. F. Stanton and J. Gauss, J. Chem. Phys. 101, 8938 (1994).
46. J. F. Stanton, J. Gauss, W. J. Lauderdale, J. D. Watts, and R. J. Bartlett, ACES II. The package also contains modified versions of the MOLECULE Gaussian integral program of J. Almlöf, and P. R. Taylor, the ABACUS integral derivative program written by T. U. Helgaker, H. J. Aa Jensen, P. Jørgensen and P. R. Taylor and the PROPS property evaluation integral code of P. R. Taylor.
47. J. Noga and R. J. Bartlett, J. Chem. Phys. 86, 7041 (1987).
48. J. Noga and R. J. Bartlett, J. Chem. Phys. 89, 3401 (1988).
49. cc-pwCVDZ CCSDT optimized bond lenghts are 3.167 Å and 2.773 Å for the external and internal Li-Li bonds.
50. T. D. Crawford, J. F. Stanton, W. D. Allen, and H. F. Schaefer, J. Chem. Phys. 107, 10626 (1997).
51. N. J. Russ, T. D. Crawford, and G. S. Tschumper, J. Chem. Phys. 120, 7298 (2004).
52. A. Dalgarno, K. Kirby, and P. C. Stancil, Astrophys. J. 458, 397 (1996).
53. C. E. Moore, Atomic Energy Levels as Derived from the Analysis of Optical Spectra (National Bureau of Standards, Washington, D.C., 1949).
54. C. Yannouleas and U. Landman, J. Chem. Phys. 107, 1032 (1997).
55. C. Yannouleas and U. Landman, Phys. Rev. B 48, 8376 (1993).
56. C. Yannouleas and U. Landman, Chem. Phys. Lett. 210, 437 (1993).
57. C. Yannouleas and U. Landman, Phys. Rev. B 51, 1902 (1995).
58. B. Vezin, P. Dugourd, C. Bordas, J. Chem. Phys. 102, 2727 (1995).
59. H. R. Ihle and C. H. Wu, J. Chem. Phys. 66, 4356 (1975).