CAP/SAC-CI method for calculating resonance states of metastable anions

Chemical Physics Letters

Volumn 537, Issue , 2012, Pages 107-112

  Ehara, Masahiro ^a   Sommerfeld, Thomas ^b  

^a INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^b SOUTHEASTERN LOUISIANA UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; C-O STRETCHING; COMPLEX ABSORBING POTENTIALS; CONFIGURATION INTERACTIONS; DECAY WIDTHS; ELECTRON TRANSMISSION; FRANCK-CONDON FACTORS; G FUNCTION; METASTABLE ANIONS; POTENTIAL ENERGY CURVES; RESONANCE STATE;

CHEMISTRY; PHYSICAL CHEMISTRY;

RESONANCE;

EID: 84861190007     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2012.03.104     Document Type: Article

References (49)

1. K.D. Jordan, and P.D. Burrow Chem. Rev. 87 1987 557
2. T. Sommerfeld J. Phys. Chem. A 104 2000 8806
3. M. Thompson, M.D. Baker, A. Christie, and J.F. Tyson Auger Electron Spectroscopy 1985 Wiley New York
4. R. Santra, J. Zobeley, L.S. Cederbaum, and T. Tarantelli J. Electron Spectr. Relat. Phenom. 114 2001 41
5. N.J. Mason Int. Jour. Mass Spec. 227 2008 31
6. D. Davis, V.P. Vysotskiy, Y. Sajeev, and L.S. Cederbaum Angew. Chem. Int. Ed. 50 2011 4119
7. G. Jolicard, and E.J. Austin Chem. Phys. Lett. 121 1985 106
8. U.V. Riss, and H.-D. Meyer J. Phys. B 26 1993 4503
9. J. Aguilar, and J.M. Combes Commun. Math. Phys. 1971 1971 269
10. E. Balslev, and J.M. Combes Commun. Math. Phys. 1971 1971 280
11. B. Simon Commun. Math. Phys. 27 1972 1
12. N. Moiseyev Phys. Rep. 302 1998 211
13. A.U. Hazi, and H.S. Taylor Phys. Rev. A 1 1970 1109
14. V.A. Mandelshtam, T.R. Ravuri, and H.S. Taylor Phys. Rev. Lett. 70 1993 1932
15. J.S.-Y. Chao, M.F. Falcetta, and K.D. Jordan J. Chem. Phys. 93 1990 1125
16. T. Sommerfeld, U.V. Riss, H.-D. Meyer, L.S. Cederbaum, B. Engels, and H.U. Suter J. Phys. B. 31 1998 4107
17. T. Sommerfeld, F. Tarantelli, H.-D. Meyer, and L.S. Cederbaum J. Chem. Phys. 112 2000 6635
18. T. Sommerfeld Phys. Rev. Lett. 85 2000 956
19. T. Sommerfeld, and R. Santra Intern. J. Quantum Chem. 82 2001 218
20. Y. Sajeev, and S. Pal Mol. Phys. 103 2005 2267
21. Y. Sajeev, R. Santra, and S. Pal J. Chem. Phys. 122 2005 234320
22. R. Santra, and L.S. Cederbaum J. Chem. Phys. 117 2002 5511
23. S. Feuerbacher, T. Sommerfeld, R. Santra, and L.S. Cederbaum J. Chem. Phys. 118 2003 6188
24. H. Nakatsuji Chem. Phys. Lett. 59 1978 362
25. H. Nakatsuji Chem. Phys. Lett. 67 1979 329
26. H. Nakatsuji Acta Chim. Acad. Sci. Hung. 129 1992 719
27. M. Ehara, J. Hasegawa, H. Nakatsuji, SAC-CI method applied to molecular spectroscopy, in: Theory and Applications of Computational Chemistry: The First 40 Years, A Volume of Technical and Historical Perspectives, Elsevier, Oxford, 2005.
28. H. Nakatsuji Chem. Phys. 75 1983 425
29. Y. Honda, M. Hada, M. Ehara, and H. Nakatsuji J. Phys. Chem. A 106 2002 3838
30. Y. Honda, M. Hada, M. Ehara, and H. Nakatsuji J. Phys. Chem. A 111 2007 2634
31. G. Gamow Z. Phys. 51 1928 204
32. A.J.F. Siegert Phys. Rev. 56 1939 750
33. R. Santra, L.S. Cederbaum, and H.-D. Meyer Chem. Phys. Lett. 303 1999 413
34. T.H. Dunning Jr. J. Chem. Phys. 90 1989 1007
35. R. Fukuda, and H. Nakatsuji J. Chem. Phys. 128 2008 094105
36. M.J. Frisch, et al., Gaussian09 Rev. B.01., Gaussian Inc., Wallingford CT, 2010.
37. P.D. Burrow, and J.A. Michejda Chem. Phys. Lett. 42 1976 223
38. Y. Choi, and K.D. Jordan Chem. Phys. Lett. 156 1989 450
39. S. Pal, N. Vaval, and Y. Sajeev Indian J. Phys. Rroceeding Ind. Ass. Cul. Sci. 81 2007 1061
40. I. Özkan, S.Y. Chu, and L. Goodman J. Chem. Phys. 63 1975 3195
41. N.L. Ma, W.K. Li, D.P. Chung, and C.Y. Ng Chem. Phys. 179 1994 365
42. G.L. Gutsev, and J. Adamowicz J. Phys. Chem. 99 1995 13412
43. J.S. Francisco, and J.W. Thoman Jr. Chem. Phys. Lett. 300 1999 553
44. R. Ahlrichs Chem. Phys. Lett. 34 1975 507
45. M. Guerra Chem. Phys. Lett. 167 1990 315
46. T. Sommerfeld, and R.J. Weber J. Phys. Chem. A 115 2011 6675
47. K. Kaufmann, W. Baumeister, and M. Jungen J. Phys. B 22 1989 2223
48. W. Domcke Phys. Rep. 208 1991 97
49. H. Morgner Chem. Phys. 145 1990 239