Complex multireference configuration interaction calculations employing a coupled diabatic representation for the 2Πg resonance states of N2-

Journal of Chemical Physics

Volumn 131, Issue 3, 2009, Pages

  Honigmann, Michael ^a   Buenker, Robert J ^a   Liebermann, Heinz Peter ^a  

^a UNIVERSITY OF WUPPERTAL   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CROSS SECTION; DIABATIC; MULTIREFERENCE CONFIGURATION-INTERACTION CALCULATIONS; RESONANCE STATE; VIBRATIONAL EXCITATION; VIBRATIONAL LEVELS;

GROUND STATE; RESONANCE; SULFUR COMPOUNDS;

BAND STRUCTURE;

EID: 67651152970     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3173277     Document Type: Article

References (21)

1. M. Honigmann, R. J. Buenker, and H. P. Liebermann, J. Chem. Phys. 125, 234304 (2006). 10.1063/1.2403856 (Pubitemid 46013643)
2. D. T. Birtwistle and A. Herzenberg, J. Phys. B 0022-3700 4, 53 (1971); 10.1088/0022-3700/4/1/009 L. Dub́ and A. Herzenberg, Phys. Rev. A 20, 194 (1979). 10.1103/PhysRevA.20.194
3. A. J. F. Siegert, Phys. Rev. 56, 750 (1939). 10.1103/PhysRev.56.750
4. G. Gamow, Der Bau des Atomkerns und die Radioaktivität (S. Hirzel, Leipzig, 1932).
5. N. Moiseyev and C. Corcoran, Phys. Rev. A 20, 814 (1979). 10.1103/PhysRevA.20.814
6. T. N. Rescigno, C. W. McCurdy, and A. E. Orel, Phys. Rev. A 1050-2947 17, 1931 (1978); 10.1103/PhysRevA.17.1931 C. W. McCurdy and T. N. Rescigno, Phys. Rev. Lett. 41, 1364 (1978). 10.1103/PhysRevLett.41.1364
7. B. Simon, Phys. Lett. 0375-9601 71A, 211 (1979); C. A. Nicolaides and D. R. Beck, Int. J. Quantum Chem. 14, 457 (1978). 10.1002/qua.560140411
8. P. M. Morse and H. Feshbach, Methods of Theoretical Physics (McGraw-Hill, New York, 1953), Vol. 1, p. 884.
9. A. Macias and A. Riera, J. Phys. B 11, L489 (1978). 10.1088/0022-3700/11/ 16/003
10. C. Petrongolo, G. Hirsch, and R. J. Buenker, Mol. Phys. 0026-8976 70, 825 (1990); 10.1080/00268979000101381 G. Hirsch, R. J. Buenker, and C. Petrongolo, Mol. Phys. 70, 835 (1990). 10.1080/00268979000101391
11. M. Honigmann, R. J. Buenker, G. Hirsch, and S. Schöttke, J. Phys. B 25, 389 (1992). 10.1088/0953-4075/25/2/008
12. J. W. Cooley, Math. Comput. 15, 363 (1961). 10.2307/2003025
13. B. M. Nestmann and S. D. Peyerimhoff, J. Phys. B 18, 4309 (1985). 10.1088/0022-3700/18/21/017
14. V. Krumbach, B. M. Nestmann, and S. D. Peyerimhoff, J. Phys. B 22, 4001 (1989). 10.1088/0953-4075/22/24/008
15. M. Honigmann, Ph.D. thesis, University Wuppertal, 1989.
16. R. J. Buenker, in Proceedings of the Workshop on Quantum Chemistry and Molecular Physics, Wollongong, Australia, edited by, P. Burton, (University Press, Wollongong, 1980), p. 1.5.1; R. J. Buenker and R. A. Phillips, J. Mol. Struct.: THEOCHEM 123, 291 (1985). 10.1016/0166-1280(85)80172-X
17. S. Krebs and R. J. Buenker, J. Chem. Phys. 103, 5613 (1995). 10.1063/1.470544
18. J. G. Lauderdale, C. W. McCurdy, and A. U. Hazi, J. Chem. Phys. 79, 2200 (1983). 10.1063/1.446068
19. G. J. Schulz, Phys. Rev. 0096-8250 135, A988 (1964); 10.1103/PhysRev.135. A988 G. J. Schulz, Rev. Mod. Phys. 45, 423 (1973). 10.1103/RevModPhys.45.423
20. R. Haas, Z. Phys. 148, 177 (1957). 10.1007/BF01322789
21. E. R. Davidson, in The World of Quantum Chemistry, edited by, R. Daudel, and, B. Pullmann, (Reidel, Dordrecht, 1974), p. 17; G. Hirsch, P. J. Bruna, S. D. Peyerimhoff, and R. J. Buenker, Chem. Phys. Lett. 52, 442 (1977). 10.1016/0009-2614(77)80483-1