Relativistic four-component static-exchange approximation for core-excitation processes in molecules

Physical Review A - Atomic, Molecular, and Optical Physics

Volumn 73, Issue 2, 2006, Pages

  Ekström, Ulf ^a,b   Norman, Patrick ^a,b   Carravetta, Vincenzo ^b  

^a LINKÖPING UNIVERSITY   (Sweden)

^b AREA DELLA RICERCA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ELECTRONS; IONIZATION;

DIRAC-COULOMB HAMILTONIAN; RELATIVISTIC EFFECTS; SUBSTANTIAL DEVIATIONS;

MOLECULES;

EID: 33244484836     PISSN: 10502947     EISSN: 10941622     Source Type: Journal    
DOI: 10.1103/PhysRevA.73.022501     Document Type: Article

References (27)

1. L. Visscher, in Relativistic Electronic Structure Theory: Part 1, Fundamentals, edited by, P. Schwerdtfeger, (Elsevier, Amsterdam, 2002), Chap..
2. T. Saue and H. J. Aa. Jensen, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1522407 118, 522 (2003).
3. H. Ågren, V. Carravetta, O. Vahtras, and L. Petterson, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(94)00318-1 222, 75 (1994).
4. H. Ågren, V. Carravetta, O. Vahtras, and L. Petterson, Theor. Chem. Acc. TCACFW 1432-881X 10.1007/s002140050234 97, 14 (1997).
5. O. Plachkevytch, V. Carravetta, O. Vahtras, and H. Ågren, Chem. Phys. CMPHC2 0301-0104 10.1016/S0301-0104(98)00055-X 232, 49 (1998).
6. O. Plachkevytch, T. Privalov, H. Ågren, V. Carravetta, and K. Ruud, Chem. Phys. CMPHC2 0301-0104 10.1016/S0301-0104(00)00171-3 260, 11 (2000).
7. V. Carravetta, H. Ågren, O. Vahtras, and H. J. Aa. Jensen, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1316046 113, 7790 (2000).
8. K. Kaznacheyev, A. Osanna, C. Jacobsen, O. Plashkevych, O. Vahtras, H. Ågren, V. Carravetta, and A. P. Hitchcock, J. Phys. Chem. JPCHAX 0022-3654 113, 7790 (2000).
9. G. Iucci, V. Carravetta, P. Altamura, M. V. Russo, G. Paolucci, A. Goldoni, and G. Polzonetti, Chem. Phys. CMPHC2 0301-0104 302, 43 (2004).
10. M. Piancastelli, V. Carravetta, I. Hjelte, A. De Fanis, K. Okada, N. Saito, M. Kitajima, H. Tanaka, and K. Ueda, Chem. Phys. Lett. CHPLBC 0009-2614 399, 426 (2004).
11. M. Alagia, C. Baldacchini, M. Betti, F. Bussolotti, V. Carravetta, U. Ekström, C. Mariani, and S. Stranges, J. Chem. Phys. JCPSA6 0021-9606 122, 124305 (2005).
12. N. Kosugi, J. Electron Spectrosc. Relat. Phenom. JESRAW 0368-2048 137-140, 335 (2004).
13. H. J. Aa. Jensen, T. Saue, L. Visscher, with contributions from Bakken, E. Eliav, T. Enevoldsen, T. Fleig, O. Fossgaard, T. Helgaker, J. Laerdahl, C. V. Larsen, P. Norman, J. Olsen, M. Pernpointner, J. K. Pedersen, K. Ruud, P. Salek, J. N. P. van Stralen, J. Thyssen, O. Visser, and T. Winther, Computer code DIRAC, 2004.
14. J. Olsen and P. Jørgensen, J. Chem. Phys. JCPSA6 0021-9606 87, 3235 (1985).
15. U. Kaldor and S. Wilson, Theoretical Chemistry and Physics of Heavy and Superheavy Elements (Kluwer Academic Publishers, Dordrecht, 2003).
16. M. H. Mittleman, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.24.1167 24, 1167 (1981).
17. T. Saue and H. J. Aa. Jensen, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.479958 111, 6211 (1999).
18. G. Herzberg, Molecular Spectra and Molecular Structure III: Electronic Spectra and Electronic Structure of Polyatomic Molecules (Von Nostrand Reinhold Company, New York, 1966).
19. D. Woon and T. Dunning, Jr., J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.464303 98, 1358 (1993).
20. R. E. LaVilla, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.430720 62, 2209 (1975).
21. S. Svensson, A. Ausmees, S. J. Osborne, G. Bray, F. Gel'mukhanov, H. Ågren, A. Naves de Brito, O.-P. Sairanen, A. Kivimäki, E. Nõmmiste, H. Aksela, and S. Aksela, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.72.3021 72, 3021 (1994).
22. E. Hudson, D. A. Shirley, M. Domke, G. Remmers, and G. Kaindl, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.49.161 49, 161 (1994).
23. M. R. F. Siggel, C. Field, K. J. Borve, L. J.Sæthre, and D. T. Thomas, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.472761 105, 9035 (1996).
24. A. Naves de Brito and H. Ågren, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.45.7953 45, 7953 (1992).
25. W. Schwarz, Chem. Phys. CMPHC2 0301-0104 10.1016/0301-0104(75)80001-2 11, 217 (1975).
26. M. Robin, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(99)01187- 2 31, 140 (1975).
27. I. Cacelli, V. Carravetta, and R. Moccia, Chem. Phys. CMPHC2 0301-0104 10.1016/0301-0104(88)87209-4 120, 51 (1988).