Valence photoelectron spectrum of KBr: Effects of electron correlation

Journal of Electron Spectroscopy and Related Phenomena

Volumn 162, Issue 1, 2008, Pages 30-35

  Calo A ^a   Huttula, M ^a   Patanen, M ^a   Aksela, H ^a   Aksela, S ^a  

^a UNIVERSITY OF OULU   (Finland)

Author keywords

KBr; Molecular calculations; Valence photoionization

Indexed keywords

CORRELATION METHODS; ELECTRONS; SATELLITES;

MOLECULAR CALCULATIONS; VALENCE PHOTOIONIZATION;

VALENCE BANDS;

EID: 36348969556     PISSN: 03682048     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.elspec.2007.08.006     Document Type: Article

References (37)

1. Kukk E., Huttula M., Aksela H., Aksela S., Nõmmiste E., and Kikas A. J. Phys. B. 36 (2003) 85
2. Kukk E., Huttula M., Rius J., Riu I., Aksela H., and Aksela S. J. Phys. B. 37 (2004) 2739
3. Hu Z.F., Caló A., Kukk E., Nikkinen J., Aksela H., and Aksela S. Chem. Phys. 121 (2004) 8246
4. Hu Z.F., Caló A., Kukk E., Aksela H., and Aksela S. J. Chem. Phys. 313 (2005) 77
5. Dyall K.G., Grant I.P., Johnson C.T., and Parpia F.A. Comput. Phys. Commun. 55 (1989) 425
6. Parpia F.A., Froese Fischer C., and Grant I.P. Comput. Phys. Commun. 94 (1996) 249
7. I.P. Grant, Relativistic Atomic Structure, in Atomic, Molecular and Optical Physics Reference Book, ed. G.W.F. Drake (American Institu of Physics, New York, 1996) ch. 22, 258-286.
8. Aksela H., Aksela S., and Pulkkinen H. Phys. Rev. A: At. Mol. Opt. Phys. 30 (1984) 2456
9. Caló A., Atanassova S., Sankari R., Kivimaki A., Aksela H., and Aksela S. J. Phys. B 39 (2006) 4169
10. Potts A.W., and Price W.C. Phys. Scripta 16 (1977) 191
11. Poole R.T., Leckley R.C.G., Jenkin J.G., and Liesegang J. Chem. Phys. Lett. 31 (1975) 308
12. Schmidt M.W., Baldridge K.K., Boatz J.A., Elbert S.T., Gordon M.S., Jensen J.H., Koseki S., Matsunaga N., Nguyen K.A., Su S.J., Windus T.L., Dupuis M., and Montgomery J.A. J. Comput. Chem. 14 (1993) 1347
13. M.S. Gordon and M.W. Schmidt, Eds. Advances in electronic structure theory: GAMESS a decade later in Theory and Applications of Computational Chemistry, the first forty years (G. E. Scuseria, Elsevier, Amsterdam, 2005).
14. Ivonic J., and Ruedenberg K. Theor. Chem. Acc. 106 (2001) 339
15. Hoffman M.R., Fox D.J., Gaw J.F., Osamura Y., Yamaguchi Y., Grev R.S., Fitzgerald G., Schaefer H.F., Knowles P.J., and Handy N.C. J. Chem. Phys. 80 (1984) 2660
16. In: Yamaguchi Y., Osamura Y., Goddard J.D., and Schaefer H.F. (Eds). A New Dimension in Quantum Chemistry (1994), Oxford Press, NY
17. Dudley T.J., Olson R.M., Schmidt M.W., and Gordon M.S. J. Chem. Phys. 27 (2006) 353
18. Mulliken R.S. J. Chem. Phys. 23 (1955) 1833
19. Mulliken R.S. J. Chem. Phys. 23 (1955) 1841
20. Mulliken R.S. J. Chem. Phys. 23 (1955) 2338
21. Mulliken R.S. J. Chem. Phys. 23 (1955) 2343
22. Pipek J., and Mezey P.Z. J. Chem. Phys. 90 (1989) 4916
23. Lowdin P.-O. Adv. Chem. Phys. 5 (1970) 185
24. Blaudeau J.-P., McGrath M.P., Curtiss L.A., and Radom L. J. Chem. Phys. 107 (1997) 5016
25. Wilson A.K., Woon D.E., Peterson K.A., and Dunning Jr. T.H. J. Chem. Phys. 110 (1999) 7667
26. Rice S.A., and Klemperer W. J. Chem. Phys. 27 (1957) 573
27. Bässler M., Ausmees A., Jurvansuu M., Feifel R., Forsell J.-O., de Tarso Fonseca P., Kivimäki A., Sundin S., Sorensen S.L., Nyholm R., Björneholm O., Aksela S., and Svensson S. Nucl. Instrum. Methods in Phys. A 469 (2001) 382
28. Huttula M., Heinäsmäki S., Aksela H., Kukk E., and Aksela S. J. Electron Spectrosc. Relat. Phenom. 156-158 (2007) 270
29. A. Mäkinen, Master Thesis, University of Oulu (2006).
30. Honig R.E. RCA Rev. 23 (1962) 567
31. Honig R.E., and Kramer D.A. RCA Rev. 30 (1969) 285
32. Moore C.E., Ionization potentials and ionization limits derived from the analysis of optical spectra, US Govt. Printing Office, Washington DC. (1970).
33. K. Kimura, S. Katsumata, Y. Achiba, T. Yamazaki, and S. Iwata, Handbookof He I Photoelectron Spectra of Fundamental Organic Molecules, Halsted, New York, 1981.
34. Potts A.W., Williams T.A., and Price W.C. Proc. R. Soc. Lond. A 341 (1974) 147-161
35. Potts A.W., and Williams T.A. J. Chem. Soc. Faraday Trans. 2 72 (1974) 1892-1900
36. Fink R.F., Kivilompolo M., Aksela H., and Aksela S. Phys. Rev. 58 (1998) 1988-2000
37. Moore C.E. Natl. Stand. Ref. Data Ser., Natl Bur. Stand. (U.S.) 35 (1971) I-III