Ab initio calculations of molecular resonant photoemission spectra

Journal of Chemical Physics

Volumn 113, Issue 18, 2000, Pages 7790-7798

  Carravetta, V ^a   Agren H ^b   Vahtras, O ^b   Jensen, H J Aa ^c  

^a Ist Chim Quantistica Energetica M   (Italy)

^b ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^c UNIVERSITY OF SOUTHERN DENMARK   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

DIPOLE MATRIX ELEMENT; RESONANT PHOTOEMISSION (RPE);

AUGER ELECTRON SPECTROSCOPY; MATHEMATICAL MODELS; MATRIX ALGEBRA; MOLECULAR SPECTROSCOPY; PHOTOEMISSION;

MOLECULAR DYNAMICS;

EID: 0034319614     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1316046     Document Type: Article

References (27)

1. H. Ågren, A. Cesar, and C.-M. Liegener, Adv. Quantum Chem. 23, 1 (1992).
2. H. Siegbahn, L. Asplund, and P. Kelfve, Chem. Phys. Lett. 35, 330 (1975).
3. H. Ågren, U. I. Wahlgren, and S. Svensson, Chem. Phys. Lett. 35, 336 (1975).
4. V. Carravetta and H. Ågren, Phys. Rev. A 35, 1022 (1987).
5. I. Cacelli, V. Carravetta, and R. Moccia, Chem, Phys. 90, 313 (1984).
6. I. Cacelli, V. Carravetta, R. Rizzo, and R. Moccia, in Modern Techniques in Computational Chemistry, edited by E. Clementi (ESCOM Science Publishers B. V., Leiden, 1990).
7. I. Cacelli, V. Carravetta, A. Rizzo, and R. Moccia, Phys. Rep. 205, 283 (1991).
8. K. Zähringer, H. D. Meyer, and L. S. Cederbaum, Phys. Rev. A 45, 318 (1992).
9. R. Colle and S. Simonucci, Phys. Rev. A 39, 6247 (1989).
10. R. Colle and S. Simonucci, Phys. Rev. A 42, 3913 (1990).
11. S. L. Botting and R. R. Lucchese, Phys. Rev. A 56, 3666 (1997).
12. B. Schimmelpfennig, B. M. Nestmann, and S. D. Peyerimhoff, J. Electron Spectrosc. Relat. Phenom. 74, 173 (1995).
13. B. Schimmelpfennig and S. D. Peyerimhoff, Chem. Phys. Lett. 253, 377 (1996).
14. U. Fano, Phys. Rev. 124, 1866 (1961).
15. U. Fano and J. W. Cooper, Rev. Mod. Phys. 40, 762 (1968).
16. T. Åberg and G. Howat, in Theory of the Auger Effect, Handbuch der Physik, edited by W. Melhorn (Springer-Verlag, Berlin, 1982), Vol. 31, p. 469.
17. V. Carravetta, F. Kh. Gel'mukhanov, H. Ågren, S. Sundin, S. J. Osborne, A. Kikas, O. Björneholm, A. Ausmees, and S. Svensson, Phys. Rev. A 56, 4665 (1997).
18. V. Carravetta and I. Cacelli, Chem. Phys. 243, 77 (1999).
19. W. J. Hunt and W. A. Goddard, III, Chem. Phys. Lett. 3, 414 (1969).
20. W. E. Moddeman, T. A. Carlson, M. O. Krause, B. P. Pullen, W. E. Bull, and G. K. Schweitzer, J. Chem. Phys. 55, 2317 (1971).
21. N. Correia, A. Flores-Riveros, H. Ågren, K. Helenelund, L. Asplund, and U. Gelius, J. Chem. Phys. 83, 2035 (1985).
22. N. Padial, G. Csanak, B. V. McKoy, and P. W. Langhoff, J. Chem. Phys. 69, 2992 (1978).
23. E. W. Plummer, T. Gustafsson, W. Gudat, and D. E. Eastman, Phys. Rev. A 15, 2339 (1977).
24. A. Hamnett, W. Stoll, and C. E. Brion, J. Electron Spectrosc. Relat. Phenom. 8, 367 (1976).
25. R. Püttner, I. Dominguez, and T. J. Morgan et al., Phys. Rev. A 59, 3415 (1999).
26. R. Pfeifel (private communication).
27. D. R. Jenison, Phys. Rev. A 23, 1215 (1981).