The potential energy surface for spin-aligned Li3(1 4A′) and the potential energy curve for spin-aligned Li2(a 3Σu+)

Journal of Chemical Physics

Volumn 118, Issue 12, 2003, Pages 5484-5495

  Colavecchia, F D ^a   Burke Jr , J P ^b,e   Stevens, W J ^b,f   Salazar, M R ^c   Parker, G A ^d   Pack, R T ^a  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

^b NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

^c UNION UNIVERSITY   (United States)

^d University of Oklahoma   (United States)

^e University of Oklahoma ^*  (United States)

^f U S DEPARTMENT OF ENERGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DIMERS; ELECTRONIC STRUCTURE; ELECTRONS; INTERPOLATION; LITHIUM; PHASE EQUILIBRIA; POTENTIAL ENERGY; SURFACES;

GLOBAL POTENTIAL ENERGY SURFACE; RYDBERG-KLEIN-REES POTENTIAL; TRIATOMIC SYSTEM;

QUANTUM THEORY;

EID: 0344520315     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1555124     Document Type: Article

References (59)

1. M. Born and R. Oppenheimer Ann. Phys. (Leipzig) 84, 457 (1927).
2. Modern Quantum Chemistry, Introduction to Advanced Electronic Structure Theory, edited by A. Szabo and N. Ostlund (McGraw-Hill, New York, 1982).
3. R. N. Yardley and G. G. Balint-Kurti, Chem. Phys. 16, 287 (1976)
4. J. Kendrick and I. H. Hillier, Mol. Phys. 33, 635 (1977)
5. P. S. Bagus and G. del Conde, Faraday Discuss. Chem. Soc. 62, 321 (1977)
6. D. W. Davies and G. del Conde, Chem. Phys. 12, 45 (1976)
7. W. H. Gerber and E. Schumacher, J. Chem. Phys. 69, 1692 (1978)
8. J. L. Gole, R. H. Childs, D. A. Dixon, and R. A. Eades, ibid. 72, 6368 (1980).
9. R. L. Martin and E. R. Davidson, Mol. Phys. 35, 1713 (1978).
10. D. M. Lindsay, D. R. Herschbach, and L. A. Kwiram, Mol. Phys. 32, 1199 (1996).
11. J. N. Murrell, S. Carter, S. C. Farantos, P. Huxley, and A. J. C. Varandas, Molecular Potential Energy Functions (Wiley, Chichester, 1984), and references therein.
12. T. C. Thompson, G. Izmirlian, Jr., S. J. Lemon, D. G. Truhlar, and C. Alden Mead, J. Chem. Phys. 82, 5597 (1985).
13. D. G. Fried, T. C. Killian, L. Willmann, D. Landhuis, S. C. Moss, D. Kleppner, and T. S. Greytak, Phys. Rev. Lett. 81, 3811 (1998).
14. C. C. Bradley, C. A. Sackett, J. J. Tollett, and R. G. Hulet, Phys. Rev. Lett. 75, 1687 (1995).
15. K. B. Davis, M.-O. Mewes, M. R. Andrews, N. J. van Druten, D. S. Durfee, D. M. Kurn, and W. Ketterle, Phys. Rev. Lett. 75, 3969 (1995).
16. M. H. Anderson, J. R. Ensher, M. R. Mathews, C. E. Wieman, and E. A. Cornell, Science 269, 198 (1995).
17. F. Martin, R. Bacis, J. Vergs, C. Linton, G. Bujin, C. H. Cheng, and E. Stad, Spectrochim. Acta, Part A 44, 1369 (1988).
18. C. Linton, T. L. Murphy, F. Martin, R. Bacis, and J. Verges, J. Chem. Phys. 91, 6036 (1989).
19. W. T. Zemke and W. C. Stwalley, J. Phys. Chem. 97, 2053 (1993).
20. A. J. Moerdijk, W. C. Stwalley, R. G. Hulet, and B. J. Verhaar, Phys. Rev. Lett. 72, 40 (1994).
21. E. R. I. Abraham, W. I. McAlexander, J. M. Gerton, R. G. Hulet, R. Côté, and A. Dalgarno, Phys. Rev. Lett. 74, 1315 (1995).
22. Z.-C. Yan, J. F. Babb, A. Dalgarno, and G. W. F. Drake, Phys. Rev. A 54, 2824 (1996).
23. C. Linton, F. Martin, A. J. Ross, I. Russier, P. Crozet, A. Yiannopoulou, L. Li, and A. M. Lyyra, J. Mol. Spectrosc. 196, 20 (1999).
24. M. D. Halls, H. B. Schlegel, M. J. DeWitt, and G. W. F. Drake, Chem. Phys. Lett. 339, 427 (2001).
25. P. Soldan (private communication).
26. J. Higgins, T. Hollebeek, J. Reho, T.-S. Ho, K. K. Lehmann, H. Rabitz, and G. Scoles, J. Chem. Phys. 112, 5751 (2000) and references therein.
27. A. J. Ross (private communication).
28. W. J. Stevens, H. Basch, and M. Krauss, J. Chem. Phys. 81, 6026 (1984).
29. M. W. Schmidt, K. K. Baldridge, J. A. Boatz et al., J. Comput. Chem. 14, 1347 (1993).
30. C. J. Lorenzen and K. Niemax, J. Phys. B 15, L139 (1982).
31. R. L. Kelly (unpublished) (taken from the NIST Atomic Spectra Database: http://physics.nist.gov/cgi-bin/AtData/main_asd).
32. R. W. Molof, H. J. Schwartz, T. M. Liller, and B. Bederson, Phys. Rev. A 10, 1131 (1974).
33. W. J. Stevens, M. Krauss, H. Krauss, H. Basch, and P. G. Jasien, Can. J. Chem. 70, 612 (1992).
34. R. Côté, A. Dalgarno, and M. J. Jamieson, Phys. Rev. A 50, 399 (1994).
35. E. R. I. Abraham, W. I. McAlexander, J. M. Gerton, R. G. Hulet, R. Côté, and A. Dalgarno, Phys. Rev. A 55, R3299 (1997).
36. R. Côté, A. Dalgarno, A. M. Lyyra, and L. Li, Phys. Rev. A 60, 2063 (1999).
37. V. Venturi (NIST, private communication).
38. A. Dalgarno, Adv. Chem. Phys. 12, 143 (1967).
39. G. M. Stacey and A. Dalgarno, J. Chem. Phys. 48, 2515 (1968).
40. J. Kouba and W. J. Meath, Mol. Phys. 34, 1351 (1977).
41. D. J. Margoliash and W. J. Meath, J. Chem. Phys. 68, 1426 (1978).
42. B. Bakarat, R. Bacis, E. Carrot, S. Churrassy, P. Crozet, and F. Martin, Chem. Phys. 102, 215 (1986).
43. M. Marinescu, H. R. Sadeghpour, and A. Dalgarno, Phys. Rev. A 49, 982 (1994).
44. M. Merawa, M. Rérat, and C. Pouchan, Phys. Rev. A 49, 2493 (1994).
45. B. M. Smirnov and M. I. Chibisov, Sov. Phys. JETP 21, 624 (1965).
46. B. M. Axilrod and E. Teller, J. Chem. Phys. 11, 299 (1943).
47. Y. Muto, Proc. Phys. Math. Soc. Jpn. 17, 629 (1943).
48. M. Marinescu and A. F. Starace, Phys. Rev. A 55, 2067 (1997).
49. M. R. Salazar, Chem. Phys. Lett. 359, 460 (2002).
50. R. Franke, Math. Comput. 38, 181 (1982)
51. S. E. Stead, Rocky Mt. J. Math. 14, 265 (1984)
52. R. L. Hardy, Comput. Math. Appl. 19, 163 (1990)
53. W. R. Madych, Comput. Math. Appl. 24, 121 (1992)
54. W. R. Madych and S. A. Nelson, Math. Comput. 54, 211 (1990)
55. Z. Wu and R. Shaback, IMA J. Num. Anal. 13, 13 (1993).
56. X. Hu, T. Ho, and H. Rabitz, Phys. Rev. E 65, 035701 (2002).
57. M. R. Salazar and R. L. Bell, J. Comput. Chem. 19, 1431 (1998).
58. R. T Pack and G. A. Parker, J. Chem. Phys. 87, 3888 (1987)
59. R. T Pack and G. A. Parker, J. Chem. Phys. 90, 3511 (1989), and references therein.