Simulation of the photodetachment spectrum of the pyrrolide anion

Chemical Physics

Volumn 329, Issue 1-3, 2006, Pages 50-64

  Motzke, Andreas ^a   Lan, Zhenggang ^a   Woywod, Clemens ^a   Domcke, Wolfgang ^a  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

Author keywords

Conical intersection; Photodetachment spectroscopy; Pyrrolide anion; Pyrrolyl radical; Vibronic coupling

Indexed keywords

EID: 33749616676     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2006.07.048     Document Type: Article

References (40)

1. Callis P.R. Annu. Rev. Phys. Chem. 34 (1983) 329
2. Creed D. Photochem. Photobiol. 39 (1984) 537
3. Crespo-Hernandez C.E., Cohen B., Hare P.M., and Kohler B. Chem. Rev. 104 (1977) 2004
4. Blank D.A., North S.W., and Lee Y.T. Chem. Phys. 187 (1994) 35
5. Wei J., Riedel J., Kuczmann A., Renth F., and Temps F. Faraday Discuss. 127 (2004) 267
6. Wei J., Kuczmann A., Riedel J., Renth F., and Temps F. Phys. Chem. Chem. Phys. 5 (2004) 315
7. Nakatsuji H., Kitao O., and Yonezawa T. J. Chem. Phys. 83 (1985) 723
8. Roos B.O., Malmqvist P.-Å., Molina V., Serrano-Andrés L., and Merchán M. J. Chem. Phys. 116 (2002) 7526
9. Sobolewski A.L., Domcke W., Dedonder-Lardeux C., and Jouvet C. Phys. Chem. Chem. Phys. 4 (2002) 1093
10. Cronin B., Nix M.G.D., Qadiri R.H., and Ashfold M.N.R. Phys. Chem. Chem. Phys. 6 (2004) 5031
11. Vallet V., Lan Z., Mahapatra S., Sobolewski A.L., and Domcke W. J. Chem. Phys. 123 (2005) 144307
12. Trofimov A.B., Köppel H., and Schirmer J. J. Chem. Phys. 109 (1998) 1025
13. Gianola A.J., Ichino T., Hoenigman R.L., Kato S., Bierbaum V.M., and Lineberger W.C. J. Phys. Chem. A 108 (2004) 10326
14. Köppel H., Domcke W., and Cederbaum L.S. Adv. Chem. Phys. 57 (1984) 59
15. Lami A., Petrongolo C., and Santoro F. In: Domcke W., Yarkony D.R., and Köppel H. (Eds). Conical Intersections (2004), World Scientific, Singapore 705
16. Cohen-Tannoudji C., Diu B., and Laloe F. Quantum Mechanics vol. 1 (1977), Wiley, New York
17. Lanczos C. J. Res. Nat. Bur. Stand., Sect. B45 (1950) 255
18. Cullum J.K., and Willoughby R.A. Lanczos Algorithms for Large Symmetric Eigenvalue Problems (1985), Birkhäuser, Basel
19. Köppel H., and Domcke W. In: von Rague-Schleyer P. (Ed). Encyclopedia of Computational Chemistry (1998), Wiley, New York 3166
20. Cederbaum L.S., Domcke W., Schirmer J., and von Niessen W. Adv. Chem. Phys. 65 (1986) 115
21. Eisfeld W. Phys. Chem. Chem. Phys. 7 (2005) 832
22. Rienstra-Kiracofe J.C., Graham D.E., and Schaefer H.F. Mol. Phys. 94 (1998) 767
23. Woon D.E., and Dunning Jr. T.H. J. Chem. Phys. 98 (1993) 1358
24. Frisch M.J., et al. GAUSSIAN 03 (2003), Gaussian, Inc., Pittsburgh PA
25. Woywod C., Livingood W.C., and Frederick J.H. J. Chem. Phys. 114 (2001) 1631
26. Ruedenberg K., Schmidt M.W., Gilbert M.M., and Elbert S.T. Chem. Phys. 71 (1982) 41
27. Roos B.O. Adv. Chem. Phys. 69 (1987) 399
28. Werner H.-J. Adv. Chem. Phys. 69 (1987) 1
29. Cave R.J., and Davidson E.R. J. Phys. Chem. 92 (1988) 614
30. Lengsfield III B.H., and Yarkony D.R. Adv. Chem. Phys. 82 (1992) 1
31. Knowles P.J., Hampel C., and Werner H.-J. J. Chem. Phys. 99 (1993) 5219
32. Becke A.D. J. Chem. Phys. 98 (1993) 5648
33. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785
34. Seidner L., Stock G., Sobolewski A.L., and Domcke W. J. Chem. Phys. 96 (1992) 5298
35. Woywod C. Chem. Phys. 311 (2005) 321
36. Woywod C., Domcke W., Sobolewski A.L., and Werner H.J. J. Chem. Phys. 100 (1994) 1400
37. Herzberg G. Molecular Spectra and Molecular Structure III (1966), van Nostrand, New York
38. Duschinsky F. Acta Physicochim. (USSR) 7 (1937) 551
39. Viel A., and Eisfeld W. J. Chem. Phys. 120 (2004) 4603
40. Eisfeld W., and Viel A. J. Chem. Phys. 122 (2005) 204317