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Volumn 125, Issue 23, 2006, Pages

Towards a highly efficient theoretical treatment of Jahn-Teller effects in molecular spectra: The 1 2A and 2 2A electronic states of the ethoxy radical

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STATES; MOLECULAR SPECTRA; NONADIABATIC EFFECTS; THEORETICAL TREATMENT;

EID: 33845777896     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2402174     Document Type: Article
Times cited : (22)

References (50)
  • 2
    • 0037043941 scopus 로고    scopus 로고
    • 0021-9606 10.1063/1.1491397
    • M. Döscher, H. Köppel, and P. G. Szalay, J. Chem. Phys. 0021-9606 10.1063/1.1491397 117, 2645 (2002); S. Mahapatra, V. Vallet, C. Woywod, H. Köppel, and W. Domcke, Chem. Phys. 0301-0104 10.1016/j.chemphys.2004.04.021 304, 17 (2004); A. Hazara and M. Nooijen, J. Chem. Phys. 122, 204327 (2005).
    • (2002) J. Chem. Phys. , vol.117 , pp. 2645
    • Döscher, M.1    Köppel, H.2    Szalay, P.G.3
  • 3
    • 4143079531 scopus 로고    scopus 로고
    • 0301-0104 10.1016/j.chemphys.2004.04.021
    • M. Döscher, H. Köppel, and P. G. Szalay, J. Chem. Phys. 0021-9606 10.1063/1.1491397 117, 2645 (2002); S. Mahapatra, V. Vallet, C. Woywod, H. Köppel, and W. Domcke, Chem. Phys. 0301-0104 10.1016/j.chemphys.2004.04.021 304, 17 (2004); A. Hazara and M. Nooijen, J. Chem. Phys. 122, 204327 (2005).
    • (2004) Chem. Phys. , vol.304 , pp. 17
    • Mahapatra, S.1    Vallet, V.2    Woywod, C.3    Köppel, H.4    Domcke, W.5
  • 4
    • 20844462440 scopus 로고    scopus 로고
    • M. Döscher, H. Köppel, and P. G. Szalay, J. Chem. Phys. 0021-9606 10.1063/1.1491397 117, 2645 (2002); S. Mahapatra, V. Vallet, C. Woywod, H. Köppel, and W. Domcke, Chem. Phys. 0301-0104 10.1016/j.chemphys.2004.04.021 304, 17 (2004); A. Hazara and M. Nooijen, J. Chem. Phys. 122, 204327 (2005).
    • (2005) J. Chem. Phys. , vol.122 , pp. 204327
    • Hazara, A.1    Nooijen, M.2
  • 5
    • 26444513977 scopus 로고    scopus 로고
    • edited by W.Domcke, D. R.Yarkony, and H.Koppel (World Scientific, New Jersey
    • H. Köppel, W. Domcke, and L. S. Cederbaum, in Conical Intersections, edited by, W. Domcke, D. R. Yarkony, and, H. Koppel, (World Scientific, New Jersey, 2004), Vol. 15, p. 323.
    • (2004) Conical Intersections , vol.15 , pp. 323
    • Köppel, H.1    Domcke, W.2    Cederbaum, L.S.3
  • 7
    • 0003418036 scopus 로고
    • edited by D. R.Yarkony (World Scientific, Singapore
    • R. J. Bartlett, in Modern Electronic Structure Theory, edited by, D. R. Yarkony, (World Scientific, Singapore, 1995), Vol. 2.
    • (1995) Modern Electronic Structure Theory , vol.2
    • Bartlett, R.J.1
  • 14
    • 0003392735 scopus 로고
    • U.S. GPO, Washington, D.C.
    • C. E. Moore, Atomic Energy Levels, Natl. Bur. Stand. Ref. Data Ser., Natl. Bur. Stand. (U.S.) Circ. No.35 (U.S. GPO, Washington, D.C., 1971).
    • (1971) Atomic Energy Levels
    • Moore, C.E.1
  • 15
    • 0030573149 scopus 로고    scopus 로고
    • 0009-2614 10.1016/S0009-2614(96)01213-4
    • Q. Cui and K. Morokuma, Chem. Phys. Lett. 0009-2614 10.1016/S0009- 2614(96)01213-4 263, 54 (1996); S. C. Foster, P. Misra, T.-Y. D. Lin, C. P. Damo, C. C. Carter, and T. A. Miller, J. Phys. Chem. 0022-3654 10.1021/j100332a014 92, 5914 (1988); D. I. Osborn, D. J. Leahy, E. R. Ross, and D. M. Neumark, Chem. Phys. Lett. 235, 484 (1995).
    • (1996) Chem. Phys. Lett. , vol.263 , pp. 54
    • Cui, Q.1    Morokuma, K.2
  • 16
    • 0000454499 scopus 로고
    • 0022-3654 10.1021/j100332a014
    • Q. Cui and K. Morokuma, Chem. Phys. Lett. 0009-2614 10.1016/S0009- 2614(96)01213-4 263, 54 (1996); S. C. Foster, P. Misra, T.-Y. D. Lin, C. P. Damo, C. C. Carter, and T. A. Miller, J. Phys. Chem. 0022-3654 10.1021/j100332a014 92, 5914 (1988); D. I. Osborn, D. J. Leahy, E. R. Ross, and D. M. Neumark, Chem. Phys. Lett. 235, 484 (1995).
    • (1988) J. Phys. Chem. , vol.92 , pp. 5914
    • Foster, S.C.1    Misra, P.2    Lin, T.-Y.D.3    Damo, C.P.4    Carter, C.C.5    Miller, T.A.6
  • 17
    • 0000144015 scopus 로고
    • Q. Cui and K. Morokuma, Chem. Phys. Lett. 0009-2614 10.1016/S0009- 2614(96)01213-4 263, 54 (1996); S. C. Foster, P. Misra, T.-Y. D. Lin, C. P. Damo, C. C. Carter, and T. A. Miller, J. Phys. Chem. 0022-3654 10.1021/j100332a014 92, 5914 (1988); D. I. Osborn, D. J. Leahy, E. R. Ross, and D. M. Neumark, Chem. Phys. Lett. 235, 484 (1995).
    • (1995) Chem. Phys. Lett. , vol.235 , pp. 484
    • Osborn, D.I.1    Leahy, D.J.2    Ross, E.R.3    Neumark, D.M.4
  • 19
  • 20
    • 36149021401 scopus 로고
    • F. S. Ham, Phys. Rev. 138, A 1727 (1965).
    • (1965) Phys. Rev. , vol.138 , pp. 1727
    • Ham, F.S.1
  • 22
    • 0142186223 scopus 로고    scopus 로고
    • 0009-2614 10.1016/j.cplett.2003.08.124
    • S. Gopalakrishnan, L. Zu, and T. A. Miller, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2003.08.124 380, 749 (2003); J. Jin, I. Sioutis, G. Tarczay, S. Gopalakrishnan, A. Bezanat, and T. A. Miller, J. Chem. Phys. 0021-9606 10.1063/1.1814104 121, 11780 (2004); G. Tarczay, S. Gopalakrishnan, and T. A. Miller, J. Mol. Spectrosc. 220, 276 (2003).
    • (2003) Chem. Phys. Lett. , vol.380 , pp. 749
    • Gopalakrishnan, S.1    Zu, L.2    Miller, T.A.3
  • 23
    • 11044228344 scopus 로고    scopus 로고
    • 0021-9606 10.1063/1.1814104
    • S. Gopalakrishnan, L. Zu, and T. A. Miller, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2003.08.124 380, 749 (2003); J. Jin, I. Sioutis, G. Tarczay, S. Gopalakrishnan, A. Bezanat, and T. A. Miller, J. Chem. Phys. 0021-9606 10.1063/1.1814104 121, 11780 (2004); G. Tarczay, S. Gopalakrishnan, and T. A. Miller, J. Mol. Spectrosc. 220, 276 (2003).
    • (2004) J. Chem. Phys. , vol.121 , pp. 11780
    • Jin, J.1    Sioutis, I.2    Tarczay, G.3    Gopalakrishnan, S.4    Bezanat, A.5    Miller, T.A.6
  • 24
    • 0042387721 scopus 로고    scopus 로고
    • S. Gopalakrishnan, L. Zu, and T. A. Miller, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2003.08.124 380, 749 (2003); J. Jin, I. Sioutis, G. Tarczay, S. Gopalakrishnan, A. Bezanat, and T. A. Miller, J. Chem. Phys. 0021-9606 10.1063/1.1814104 121, 11780 (2004); G. Tarczay, S. Gopalakrishnan, and T. A. Miller, J. Mol. Spectrosc. 220, 276 (2003).
    • (2003) J. Mol. Spectrosc. , vol.220 , pp. 276
    • Tarczay, G.1    Gopalakrishnan, S.2    Miller, T.A.3
  • 32
    • 33845769761 scopus 로고    scopus 로고
    • H. Lischka, R. Shepard, I. Shavit, COLUMBUS, an ab initio electronic structure program (2003); M. Dallos, H. Lischka, P. Szalay, R. Shepard, and D. R. Yarkony, J. Chem. Phys. 120, 7330 (2004).
    • (2003)
    • Lischka, H.1    Shepard, R.2    Shavit, I.3
  • 42
    • 2942587678 scopus 로고    scopus 로고
    • edited by G. A.Worth and S.Althorpe (CCP6, London
    • S. Han and D. R. Yarkony, in Conical Intersections, edited by, G. A. Worth, and, S. Althorpe, (CCP6, London, 2004).
    • (2004) Conical Intersections
    • Han, S.1    Yarkony, D.R.2
  • 45
    • 33845789434 scopus 로고    scopus 로고
    • EPAPS Document No. E-JCPSA6-125-013647 for supplementary tables, figures, and text. This document can be reached via a direct link in the online article's HTML reference section or via the EPAPS homepage
    • See EPAPS Document No. E-JCPSA6-125-013647 for supplementary tables, figures, and text. This document can be reached via a direct link in the online article's HTML reference section or via the EPAPS homepage (http://www.aip.org/ pubservs/epaps.html).


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