Ab initio time-resolved density functional theory for lifetimes of excited adsorbate states at metal surfaces

Chemical Physics Letters

Volumn 439, Issue 1-3, 2007, Pages 199-203

  Li, Xiaosong ^a   Tully, John C ^b  

^a UNIVERSITY OF WASHINGTON   (United States)

^b YALE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; DENSITY FUNCTIONAL THEORY; HYDROGEN; LITHIUM;

ELECTRONIC DYNAMICS;

ADSORBATES;

EID: 34247274001     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2007.03.041     Document Type: Article

References (35)

1. Nordlander P., and Tully J.C. Phys. Rev. B 42 (1990) 5564
2. Teilletbilly D., and Gauyacq J.P. Surf. Sci. 239 (1990) 343
3. Kurpick P., and Thumm U. Phys. Rev. A 58 (1998) 2174
4. Ermoshin V., and Kazansky A. Phys. Lett. A 218 (1996) 99
5. Deutscher S., Yang X., and Burgdorfer J. Phys. Rev. A 55 (1997) 466
6. Hoffmann R., Imamura A., and Hehre W. J. Am. Chem. Soc. 90 (1968) 1499
7. Paddon-Row M. Acc. Chem. Res. 15 (1982) 245
8. McConnell H. J. Chem. Phys. 35 (1961) 508
9. Skourtis S., and Mukamel S. Chem. Phys. 197 (1995) 367
10. Miller J., and Beitz J. J. Chem. Phys. 74 (1981) 6746
11. Daizadeh I., Gehlen J., and Stuchebrukhov A. J. Chem. Phys. 106 (1997) 5658
12. Stuchebrukhov A. J. Chem. Phys. 107 (1997) 6495
13. Merino J., Lorente N., Pou P., and Flores F. Phys. Rev. B 54 (1996) 10959
14. Taylor M., and Nordlander P. Phys. Rev. B 64 (2001) 10959
15. Runge E., and Gross E.K.U. Phys. Rev. Lett. 52 (1984) 997
16. Dhara A.K., and Ghosh S.K. Phys. Rev. A 35 (1987) 442
17. Casida M.E. In: Chong D.P. (Ed). Recent Advances in Density Functional Methods (1995), World Scientific, Singapore
18. Casida M.E. In: Seminario J.M. (Ed). Recent Developments and Applications of Modern Density Functional Theory, Theoretical and Computational Chemistry (1996), Elsevier, Amsterdam 391
19. Li X., Smith S.M., Markevitch A.N., Romanov D.A., Levis R.J., and Schlegel H.B. Phys. Chem. Chem. Phys. 7 (2005) 233
20. Löwdin P.O. Adv. Quantum Chem. 5 (1970) 185
21. Reed A.E., Weinstock R.B., and Weinhold F. J. Chem. Phys. 83 (1985) 735
22. Frisch M.J., et al. Gaussian Development Version, Rev. D.01 (2004), Gaussian, Inc., Wallingford CT
23. Nadler M.R., and Kempter C.P. Anal. Chem. 31 (1959) 2109
24. Kokko K., Salo P.T., Laihia R., and Mansikka K. Phys. Rev. B 52 (1995) 1536
25. Ovchinnikov A.P., and Tsarev B.M. Soviet Phys. Solid State 9 (1968) 2766
26. Lykke K.R., Murray K.K., and Lineberger W.C. Phys. Rev. A 43 (1991) 6104
27. Kinghorn D.B., and Adamowicz L. J. Chem. Phys. 106 (1997) 4589
28. Petersilka M., Gossmann U.J., and Gross E.K.U. Phys. Rev. Lett. 76 (1996) 1212
29. Casida M.E., Casida K.C., and Salahub D.R. Int. J. Quantum Chem. 70 (1998) 933
30. Bauernschmitt R., and Ahlrichs R. Chem. Phys. Lett. 256 (1996) 454
31. Bauernschmitt R., Haser M., Treutler O., and Ahlrichs R. Chem. Phys. Lett. 264 (1997) 573
32. Gross E.K.U., Dobson J.F., and Petersilka M. In: Nalewajski R.F. (Ed). Density Functional Theory II (1996), Springer, Berlin 81
33. Jamorski C., Casida M.E., and Salahub D.R. J. Chem. Phys. 104 (1996) 5134
34. Stratmann R.E., Scuseria G.E., and Frisch M.J. J. Chem. Phys. 109 (1998) 8218
35. Foresman J.B., Headgordon M., Pople J.A., and Frisch M.J. J. Phys. Chem. 96 (1992) 135