Systematics of the gradient on the resonant core-hole state

Journal of Molecular Structure: THEOCHEM

Volumn 808, Issue 1-3, 2007, Pages 35-40

  Takahashi, Osamu ^a   Matsui, Takayuki ^a   Kawano, Akio ^a   Tabayashi, Kiyohiko ^a   Yamasaki, Katsuyoshi ^a  

^a HIROSHIMA UNIVERSITY   (Japan)

Author keywords

Chemical reaction following core excitation; Core hole excited state dynamics; Density functional theory; Molecular size effect; Site specific chemical reaction; Soft X ray

Indexed keywords

EID: 33947691231     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2006.12.036     Document Type: Article

References (30)

1. Eberhardt W., Sham T.K., Carr R., Krummacher S., Strongin M., Weng S.L., and Wesner D. Phys. Rev. Lett. 40 (1983) 1038
2. Zare R.N. Science 279 (1998) 1875
3. Tanaka K., Sako E.O., Ikenaga E., Isari K., Sardar S.A., Wada S., Sekitani T., Mase K., and Ueno N. J. Elec. Spectrosc. Relat. Phenom. 119 (2001) 255
4. Mase K., Nagasono M., Tanaka S., Sekitani T., and Nagaoka S. Fiz. Niz. Temp. 29 (2003) 321
5. Tinone M.C.K., Tanaka K., Maruyama J., Ueno N., Imamura M., and Matsubayashi N. J. Chem. Phys. 100 (1994) 5988
6. Takahashi O., Tabayashi K., Wada S., Sumii R., Tanaka K., Odelius M., and Pettersson L.G.M. J. Chem. Phys. 124 (2006) 124901
7. Nambu A., Kobayashi E., Mori M., Okudaira K.K., Ueno N., and Mase K. Surf. Sci. 593 (2005) 269
8. Triguero L., Pettersson L.G.M., and Ågren H. Phys. Rev. B 58 (1998) 8097
9. Kolczewski C., Püttner R., Plashkevych O., Ågren H., Staemmler V., Martins M., Snell G., Schlachter A.S., Anna M.S., Kaindl G., and Pettersson L.G.M. J. Chem. Phys. 115 (2001) 6426
10. Takahashi O., and Pettersson L.G.M. J. Chem. Phys. 121 (2004) 10339
11. Nyberg M., Odelius M., Nilsson A., and Pettersson L.G.M. J. Chem. Phys. 119 (2003) 12577
12. Cavalleri M., Ogasawara H., Pettersson L.G.M., and Nilsson A. Chem. Phys. Lett. 364 (2002) 363
13. Wernet P., Nordlund D., Bergmann U., Cavalleri M., Odelius M., Ogasawara H., Näslund L.A., Hirsch T.K., Ojamäe L., Glatzel P., Pettersson L.G.M., and Nilsson A. Science 304 (2004) 995
14. Takahashi O., Odelius M., Nordlund D., Bluhm H., Nilsson A., and Pettersson L.G.M. J. Chem. Phys. 124 (2006) 064307
15. Odelius M., Ogasawara H., Nordlund D., Fuchs O., Weinhardt L., Maier F., Umbach E., Heske C., Zubavichus Y., Grunze M., Denlinger J.D., Pettersson L.G.M., and Nilsson A. Phys. Rev. Lett. 94 (2005) 227401
16. Pettersson L.G.M., Wahlgren U., and Gropen O. Chem. Phys. 80 (1983) 7
17. Kutzelnigg W., Fleischer U., and Schindler M. NMR-Basic Principles and Progress (1990), Springer-Verlag, Heidelberg
18. Perdew J.P., and Wang Y. Phys. Rev. B 33 (1986) 8800
19. Perdew J.P., and Wang Y. Phys. Rev. B 45 (1992) 13244
20. M.J. Frisch, et al., Gaussian 03, revision C.02 (gaussian, inc., wallingford ct, 2004).
21. K. Hermann, L.G.M. Pettersson et al., StoBe-DeMon version 1.0 (StoBe software, 2002).
22. Senba Y., Yoshida H., Ogata T., Sakata D., Hiraya A.A., and Tanaka K. J. Elec. Spectrosc. Relat. Phenom. 101-103 (1999) 131
23. Ibuki T., Okada K., Saito K., and Gejo T. J. Elec. Spectro. Relat. Phenom. 107 (2000) 39
24. Okada K., Tanimoto S., Morita T., Saito K., Ibuki T., and Gejo T. J. Phys. Chem. A 107 (2003) 8444
25. Brena B., Nordlund D., Odelius M., Ogasawara H., Nilsson A., and Pettersson L.G.M. Phys. Rev. Lett. 93 (2004) 148302
26. Stöhr J. NEXAFS Spectroscopy (1992), Springer, Berlin
27. Takahashi O., Mitani M., Joyabu M., Saito K., and Iwata S. J. Elec. Spectrosc. Relat. Phenom. 120 (2001) 137
28. Takahashi O., Joyabu M., Mitani M., Saito K., and Iwata S. J. Comp. Chem. 24 (2003) 1329
29. Morin P., and Nenner I. Phys. Rev. Lett. 56 (1986) 1913
30. Hiraya A., Nobusada K., Simon M., Okada K., Tokushima T., Senba Y., Yoshida H., Kamimori K., Okumura H., Shimizu Y., Thomas A.-L., Millie P., Koyano I., and Ueda K. Phys. Rev. A 63 (2001) 042705