Generalization of Laguerre orbitals toward an accurate, concise and practical analytic atomic wave function

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Volumn 53, Issue 2, 2005, Pages 283-297

  Xiong, Z ^a,b   Bacalis, N C ^a  

^a THEORETICAL AND PHYSICAL CHEMISTRY INSTITUTE   (Greece)

^b UNIVERSITY OF PATRAS   (Greece)

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[No Author keywords available]

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EID: 27644507976     PISSN: 03406253     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Conference Paper

References (39)

1. We modified Powell's method p. 412 of Ref. [[3]] for a restricted region in parameter space.
2. C. A. Nicolaides, Int. J. Quantum Chem. 60, 119 (1996), and references therein.
3. W. H. Press, S. A. Teukolsky, W. T. Vetterling and B. P. Flannery, Numerical Recipes in FORTRAN, 2nd ed. (Cambridge University Press, 1992).
4. R. McWeeny, Methods of Molecular Quantum Mechanics, 2nd ed. (Academic Press, 1989).
5. H. F. Schaefer and F. E. Harris, J. Computational Phys. 3, 217 (1968).
6. M. Tinkham, Group Theory and Quantum Mechanics (McGraw-Hill Book Company, 1964).
7. E. Hylleraas and B. Undheim, Z. Phys. 65, 759 (1930);
8. J. K. L. MacDonald, Phys. Rev. 43 830 (1933).
9. C. E. Eckart, Phys. Rev. 36, 878 (1930).
10. See also A. K. Theophilou, J. Phys. C12, 5419 (1979).
11. Z. Xiong, Ph.D thesis, University of Patras, Greece, (2002) unpublished.
12. S. Wolfram, Mathematica 2.2, Wolfram Research, Inc. (1993).
13. C. F. Fischer, T. Brage and P. Jönsson, Computational Atomic Structure, An MCHF Approach, (Institute of Physics Publishing, 1997).
14. Y. Accad, C. L. Pekeris and B. Schiff, Phys. Rev. A4, 516 (1971).
15. C. F. Fischer, Phys. Rev. A41, 3481 (1990).
16. S. Larsson, Phys. Rev. 169, 49 (1968).
17. A. W. Weiss, Astrophys. J. 138, 1262 (1953)
18. C. E. Moore, Atomic Energy levels, Vol. 1-3 (Washington DC: US Govt. Printing Office, 1949).
19. D. Sundholm and J. Olsen, Chem. Phys. Lett. 182, 497 (1991).
20. A. Kalemos, A. Mavridis and A. Metropoulos, J. Chem. Phys. 111, 9536 (1999), and private communication.
21. J. N. Silverman, Chem. Phys. Lett. 160, 514 (1989).
22. C. Froese, J. Chem. Phys. 47, 4010 (1967);
23. Can. J. Phys. 45, 7 (1967).
24. C. S. Sharma, Proc. Phys. Soc. 92, 543 (1967).
25. A. Kono and S. Hattori, Phys. Rev. A34, 1727 (1986).
26. C. L. Pekeris, Phys. Rev. 126, 1470 (1962).
27. E. A. Hylleraas, Z. Physik. 65, 209 (1930).
28. C. Froese Fischer, Can. J. Phys. 51, 1238 (1973).
29. D. Rassi, V. Pejčev and K. J. Ross, J. Phys. B: Atom. Molec. Phys. 10, 3535 (1977), and references therein.
30. D. L. Ederer, T. Lucatorto and R. P. Madden, Phys. Rev. Lett. 25, 1537 (1970).
31. S. Goldsmith, J. Phys. B: Atom. Moiec. Phys. 7 2315 (1974).
32. Froese Fischer C., Ref. [[25]] (with seven configurations).
33. c.f. The caption of Fig. 1.
34. Froese Fischer C. et. al, Ref. [[11]], p. 67, (up to 6h).
35. M-K. Chen, J. Phys. B 27, 865 (1994).
36. g is shown in the first line of He I.
37. e(3,2).
38. κ-factors).
39. Weiss in Ref. [[27]]