Internal and external heavy-atom effects on phosphorescence radiative lifetimes calculated using a mean-field spin-orbit Hamiltonian

Chemical Physics Letters

Volumn 310, Issue 1-2, 1999, Pages 215-221

  Ruud, Kenneth ^a   Schimmelpfennig, Bernd ^b   Ågren, Hans ^c  

^a UNIVERSITY OF OSLO   (Norway)

^b STOCKHOLM UNIVERSITY   (Sweden)

^c LINKÖPING UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001041849     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(99)00712-5     Document Type: Article

References (31)

1. Ågren H., Vahtras O., Minaev B. Adv. Quantum Chem. 27:1996;71.
2. N.J. Turro, Modern Molecular Photochemistry, Benjamin/Cummings, Menlo Park, CA, 1978).
3. Minaev B.F. Russ. J. Struct. Chem. 23:1982;170.
4. Knuts S., Minaev B.F., Ågren H., Vahtras O. Theor. Chim. Acta. 87:1994;343.
5. Heß B.A., Marian C.M., Wahlgren U., Gropen O. Chem. Phys. Lett. 251:1996;365.
6. B. Schimmelpfennig (unpublished).
7. Marian C.M., Wahlgren U. Chem. Phys. Lett. 251:1996;357.
8. Launila O., Schimmelpfennig B., Fagerli H., Gropen O., Taklif A.G., Wahlgren U. J. Mol. Spectrosc. 186:1997;131.
9. Malkina O.L., Schimmelpfennig B., Kaupp M., Heß B.A., Chandra P., Wahlgren U., Malkin V.G. Chem. Phys. Lett. 296:1998;93.
10. Blume M., Watson R.E. Proc. R. Soc. London, Ser. A. 270:1962;127.
11. Blume M., Watson R.E. Proc. R. Soc. London, Ser. A. 271:1963;565.
12. Zerner M. Int. J. Quantum Chem. 35:1991;567.
13. Walker T.E.H., Richards W.G. J. Chem. Phys. 52:1970;1311.
14. Kosegi S., Gordon M.S., Schmidt M.W., Matsunaga N. J. Phys. Chem. 99:1995;12764.
15. J. Olsen, P. Jørgensen, in: D.R. Yarkony (Ed.), Modern Electronic Structure Theory, World Scientific, New York, 1995, p. 857.
16. Vahtras O., Ågren H., Jørgensen P., Jensen H.J.A., Helgaker T., Olsen J. J. Chem. Phys. 97:1992;9178.
17. Langhoff S.R., Davidson E.R. J. Chem. Phys. 64:1976;4699.
18. Vahtras O., Ågren H., Jørgensen P., Jensen H.J.A., Helgaker T., Olsen J. J. Chem. Phys. 96:1992;2118.
19. Chandra P., Buenker R.J. J. Chem. Phys. 70:1983;358.
20. Havriliak S.J., Yarkony D.R. J. Chem. Phys. 83:1985;1168.
21. Ågren H., Vahtras O., Knuts S., Jørgensen P. Chem. Phys. 181:1994;291.
22. T. Helgaker, H.J.A. Jensen, P. Jørgensen, J. Olsen, K. Ruud, H. Ågren, T. Andersen, K.L. Bak, V. Bakken, O. Christiansen, P. Dahle, E.K. Dalskov, T. Enevoldsen, B. Fernandez, H. Heiberg, H. Hettema, D. Jonsson, S. Kirpekar, R. Kobayashi, H. Koch, K.V. Mikkelsen, P. Norman, M.J. Packer, T. Saue, P.R. Taylor, O. Vahtras, DALTON: An Ab Initio Electronic Structure Program, Release 1.0 (1997). http://www.kjemi.uio.no/software/dalton/dalton.html.
23. Widmark P.-O., Malmqvist P.-Å., Roos B.O. Theor. Chim. Acta. 77:1990;291.
24. Widmark P.-O., Persson B.J., Roos B.O. Theor. Chim. Acta. 79:1991;419.
25. Pierloot K., Dumez B., Widmark P.-O., Roos B.O. Theor. Chim. Acta. 90:1995;87.
26. Jensen H.J.A., Jørgensen P., Ågren H., Olsen J. J. Chem. Phys. 88:1987;3824.
27. S. Knuts, O. Vahtras, H. Ågren, J. Mol. Struct. (THEOCHEM), Vol. 279 (1993) 249.
28. Minaev B.F., Knuts S., Ågren H. Chem. Phys. 181:1994;15.
29. S. Knuts, H. Ågren, B.F. Minaev, J. Mol. Struct. (THEOCHEM), Vol. 311 (1994) 185.
30. Vaara J., Ruud K., Vahtras O. J. Comput. Chem. 20:1999;in press.
31. Brand J., Cederbaum L.S. Phys. Rev. A. 57:1998;4311.