Investigation of P be shape resonances using a quadratically convergent complex multiconfigurational self-consistent field method

Journal of Physical Chemistry B

Volumn 112, Issue 50, 2008, Pages 16214-16219

  Samanta, Kousik ^a   Yeager, Danny L ^a  

^a TEXAS A AND M UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONS;

ENERGY GRADIENTS; LOW ENERGY ELECTRONS; MULTICONFIGURATIONAL SELF-CONSISTENT FIELDS; NONDYNAMICAL CORRELATION; SCATTERING RESONANCE; SECOND QUANTIZATION; SHAPE RESONANCE; STATIONARY POINTS;

ELECTRON RESONANCE;

EID: 58149269286     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp806998n     Document Type: Article

References (43)

1. Yeager, D. L.; Jørgensen, P. J. Chem. Phys. 1979, 71, 755.
2. Jørgensen,P.; Simons, J. Second Quantization-Based Methods in Quantum Chemistry; Academic Press: New York, 1981.
3. Olsen, J.; Yeager, D. L.; Jørgensen, P. Adv. Chem. Phys. 1983, 54, 1.
4. Graham, R. L.; Golab, J. T.; Yeager, D. L.; Olsen, J.; Jørgensen, P.; Harrison, R.; Zarrabian, S. J. Chem. Phys. 1986, 85, 6544.
5. Golab, J. T.; Yeager, D. L. J. Chem. Phys. 1987, 87, 2925.
6. Graham, R. L.; Yeager, D. L.; Rizzo, A. J. Chem. Phys. 1989, 91, 5451.
7. Rizzo, A.; Yeager, D. L. J. Chem. Phys. 1990, 93, 8011.
8. Aguilar, J.; Combes, J. Commun. Math. Phys. 1971, 22, 269.
9. Balslev, E.; Combes, J. Commun. Math. Phys. 1971, 22, 280.
10. Simon, B. Commun. Math. Phys. 1972, 27, 1.
11. Mishra, M.; Goscinski, O.; Öhrn, Y. J. Chem. Phys. 1983, 79, 5494.
12. Simons, J. Annu. Rev. Phys. Chem. 1977, 28, 15.
13. Rescigno, T. N.; McCurdy, J. C. W.; Orel, A. E. Phys. Rev. A 1978, 17, 1931.
14. MeCurdy, C. W.; Rescigno, T. N. Phys. Rev. Lett. 1978, 41, 1364.
15. McCurdy, C. W.; Rescigno, T. N.; Davidson, E. R.; Lauderdale, J. G. J. Chem. Phys. 1980, 73, 3268.
16. McCurdy, C. W.; Turner, J. L. J. Chem. Phys. 1983, 78, 6773.
17. McCurdy, C. W.; McNutt, J. F. Chem. Phvs. Lett. 1983, 94, 306.
18. Rescigno, T.; McCurdy, C. W. Phys. Rev. A 1985, 31, 624.
19. Barrios, R.; Simons, J. J. Phys. Chem. B 2002, 106, 7991.
20. Mishra, M.; Ohrn, Y.; Froelich, P. Phys. Lett. A 1981, 81, 339.
21. Mishra, M. K.; Medikari, M. N. Adv. Quantum Chem. 1996, 27, 223.
22. Venkatnathan, A.; Mahalakshmi, S.: Mishra. M. K. J. Chem. Phys. 2001, 114, 35.
23. Mishra, M. K.; Venkatnathan, A. Int. J. Quantum Chem. 2002, 90, 1334.
24. Sajeev, Y.; Mishra, M. K.; Vaval, N.; Pal. S. J. Chem. Phys. 2003, 120, 67.
25. Venkatnathan, A.; Mishra, M.; Jensen, H. J. A. Theor. Chim. Acta 2000, 104, 445.
26. Donnelly, R.; Simons, J. J. Chem. Phvs. 1980, 73, 2858.
27. Moiseyev, N.; Hirshfelder, J. O. J. Chem. Phys. 1988, 88, 1063.
28. Hazi, A. U.; Tavlor, H. S. Phys. Rev. A 1970, 1, 1109.
29. Liebman, J. E.; Yeager, D. L.; Simons, J. Chem. Phys. Lett. 1977, 48, 227.
30. Riss, U. V.; Mever. H.-D. J. Phys. B 1993, 26, 4503.
31. Sommerfeld, T.; Riss, U. V.; Mever, H.-D.; Cederbaum, L. S. Phys. Rev. A 1997, 55, 1903.
32. Santra, R.; Cederbaum, L. S. J. Chem. Phys. 2002, 117, 5511.
33. Feuerbacher, S.; Sommerfeld, T.; Santra, R.; Cederbaum, L. S. J. Chem. Phvs. 2003, 118, 6188.
34. Yeager, D. L.; Mishra, M. K. Int. J. Quantum Chem. 2005, 104, 871.
35. Raimes, S. Many Electron Theory; Academic Press: London, 1973.
36. 1 Method. Int. J. Quantum Chem. submitted for publication.
37. Jørgensen, P.; Swansrøm, P.; Yeager, D. L. J. Chem. Phys. 1983, 78, 347.
38. Fletcher, R. Practical Methods of Optimization; Wiley: New York. 1980.
39. Moiseyev, N.; Friedland, S.; Certain, P. R. J. Chem. Phys. 1981, 74, 4739.
40. Kurtz, H. A.; Öhrn, Y. Phys. Rev. A 1979, 19, 43.
41. Kurtz, H. A.; Jordan, K. J. Phys. B 1981, 14, 4361.
42. Krylstedt, P.; Rittby, M.; Elander, N.; Brändas, J. J. Phys. B 1987, 20, 1295.
43. Krylstedt, P.; Elander, N.; Brandas, J. J. Phys. B 1988, 21, 3969.