Valence and excited states of [Formula Presented]

Physical Review A - Atomic, Molecular, and Optical Physics

Volumn 57, Issue 3, 1998, Pages 1646-1651

  Gutsev, Gennady L ^a   Nooijen, Marcel ^a   Bartlett, Rodney J ^a  

^a UNIVERSITY OF FLORIDA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0007071989     PISSN: 10502947     EISSN: 10941622     Source Type: Journal    
DOI: 10.1103/PhysRevA.57.1646     Document Type: Article

References (56)

1. E. Fermi and E. Teller, Phys. Rev. 72, 406 (1947).PHRVAO
2. A. S. Wightman, Phys. Rev. 77, 521 (1949).PHRVAO
3. M. H. Mittelman and V. P. Myerscough, Phys. Lett. 23, 545 (1966).PHLTAM
4. J. E. Turner and K. Fox, Phys. Lett. 23, 547 (1966).PHLTAM
5. W. B. Brown and R. E. Roberts, J. Chem. Phys. 46, 2006 (1967).JCPSA6
6. M. Lévy-Leblond, Phys. Rev. 153, 1 (1967).PHRVAO
7. L. E. Turner, Am. J. Phys. 45, 758 (1977).AJPIAS
8. K. D. Jordan and W. Luken, J. Chem. Phys. 64, 2760 (1976).JCPSA6
9. W. R. Garrett, Chem. Phys. Lett. 5, 393 (1970).CHPLBC
10. W. R. Garrett, Phys. Rev. A 3, 961 (1971).PLRAAN
11. W. R. Garrett, Chem. Phys. Lett. 62, 325 (1979).CHPLBC
12. O. H. Crawford, Mol. Phys. 20, 585 (1971).MOPHAM
13. C. Desfrançois, H. Abdoul-Carime, N. Khelifa, and J. P. Schermann, Phys. Rev. Lett. 73, 2436 (1994).PRLTAO
14. G. L. Gutsev and L. Adamowicz, J. Phys. Chem. 99, 13 412 (1995).JPCHAX
15. M. R. H. Rudge, J. Phys. A 11, 1497 (1978).JPHAC5
16. W. R. Garrett, J. Chem. Phys. 73, 5721 (1980).JCPSA6
17. W. R. Garrett, J. Chem. Phys. 77, 3666 (1982).JCPSA6
18. R. F. Wallis, R. Herman, and H. W. Milnes, J. Mol. Spectrosc. 4, 51 (1960).JMOSA3
19. W. J. Stevens, J. Chem. Phys. 72, 1536 (1980).JCPSA6
20. E. A. McCullough, Jr., J. Chem. Phys. 75, 1579 (1981).JCPSA6
21. A. U. Hazi, J. Chem. Phys. 75, 4586 (1981).JCPSA6
22. L. Adamowicz and R. J. Bartlett, J. Chem. Phys. 83, 6268 (1985).JCPSA6
23. L. Adamowicz and R. J. Bartlett, J. Chem. Phys. 88, 313 (1988).JCPSA6
24. L. Adamowicz and E. A. McCullough, Chem. Phys. Lett. 107, 72 (1984).CHPLBC
25. M. Gutowski, P. Skurski, A. I. Boldyrev, J. Simons, and K. D. Jordan, Phys. Rev. A 54, 1906 (1996).PLRAAN
26. M. Nooijen and R. J. Bartlett, J. Chem. Phys. 102, 3629 (1995).JCPSA6
27. R. J. Bartlett and J. F. Stanton, Reviews in Computational Chemistry, edited by K. B. Lipkowicz and D. B. Boyd (VCH, New York, 1994), Vol. 5, p. 65.
28. G. L. Gutsev and L. Adamowicz, Chem. Phys. Lett. 246, 245 (1995).CHPLBC
29. H. W. Sarkas, J. H. Hendricks, S. T. Arnold, and K. H. Bowen, J. Chem. Phys. 100, 1884 (1994).JCPSA6
30. ACES II is a program product of the Quantum Theory Project, University of Florida. J. F. Stanton, J. Gauss, J. D. Watts, M. Nooijen, N. Oliphant, S. A. Perera, P. G. Szalay, W. J. Lauderdale, S. R. Gwaltney, S. Beck, A. Balkova, D. E. Bernholdt, K.-K. Baeck, P. Rozyczko, H. Sekino, C. Huber, and R. J. Bartlett. Integral packages included are VMOL (J. Almlöf and P. R. Taylor), VPROPS (P. R. Taylor), and ABACUS (H. J. Helgaker, H. Aa. Jensen, P. Jørgensen, and P. R. Taylor).
31. P. O. Widmark, P. A. Malmqvist, and B. O. Roos, Theor. Chim. Acta 77, 291 (1990).TCHAAM
32. G. L. Gutsev and R. J. Bartlett, Chem. Phys. Lett. 265, 12 (1997).CHPLBC
33. G. D. Purvis III and R. J. Bartlett, J. Chem. Phys. 76, 1910 (1982).JCPSA6
34. M. Urban, J. Noga, S. J. Cole, and R. J. Bartlett, J. Chem. Phys. 83, 4041 (1985).JCPSA6
35. K. Raghavachari, G. W. Trucks, M. Head-Gordon, and J. Pople, Chem. Phys. Lett. 157, 479 (1989).CHPLBC
36. R. J. Bartlett, J. D. Watts, S. A. Kucharski, and J. Noga, Chem. Phys. Lett. 165, 513 (1990).CHPLBC
37. J. Noga and R. J. Bartlett, J. Chem. Phys. 86, 7041 (1987).JCPSA6
38. H. Sekino and R. J. Bartlett, Int. J. Quantum Chem. Symp. 18, 255 (1984).IJQSAF
39. J. F. Stanton and R. J. Bartlett, J. Chem. Phys. 98, 7029 (1993).JCPSA6
40. R. J. LeRoy, LEVEL 5.2. A Computer Program for Solving the Radial Schrödinger Equation for Bound and Quasibound Levels and Calculating (if desired) Expectation Values and Franck-Condon Intensity Factors, University of Waterloo Chemical Physics Research Report No. CP-330R, 1993.
41. K. D. Jordan, Acc. Chem. Res. 12, 36 (1979).ACHRE4
42. J. Simons and K. D. Jordan, Chem. Rev. 87, 535 (1987).CHREAY
43. G. Frenking and W. Koch, J. Chem. Phys. 84, 3224 (1986).JCPSA6
44. K. P. Huber and G. Herzberg, Constants of Diatomic Molecules (Van Nostrand Reinhold, New York, 1979).
45. CRC Handbook of Chemistry and Physics, edited by D. R. Lide (CRC Press, Boca Raton, FL, 1994).
46. J. Noga, D. Tunega, W. Klopper, and W. Kutzelnigg, J. Chem. Phys. 102, 309 (1995).JCPSA6
47. B. Liu, K. O-Ohata, and K. Kirby-Docken, J. Chem. Phys. 67, 1850 (1977).JCPSA6
48. P. Rosmus and W. Meyer, J. Chem. Phys. 69, 2745 (1978).JCPSA6
49. G. Haefler, D. Hanstorp, I. Kiyan, A. E. Klinkmüller, and D. J. Pegg, Phys. Rev. A 53, 4127 (1996).PLRAAN
50. H. Hotop and W. C. Lineberger, J. Phys. Chem. Ref. Data 14, 731 (1985).JPCRBU
51. F. H. Crawford and T. Jorgensen, Jr., Phys. Rev. 47, 932 (1935).PHRVAO
52. G. L. Gutsev and R. J. Bartlett, J. Chem. Phys. 105, 8785 (1996).JCPSA6
53. O. H. Crawford and W. R. Garrett, J. Chem. Phys. 66, 4968 (1977).JCPSA6
54. K. D. Jordan, K. M. Griffing, J. Kenney, E. L. Andersen, and J. Simons, J. Chem. Phys. 64, 4730 (1976).JCPSA6
55. C. Desfrançois, H. Abdoul-Carime, and J. P. Schermann, Int. J. Mod. Phys. B 10, 1339 (1996).IJPBEV
56. G. J. Schulz, Rev. Mod. Phys. 45, 423 (1973). RMPHAT