Calculation of multicenter nuclear attraction and electron repulsion integrals over Slater orbitals by Fourier transform method using Gegenbauer polynomials

Journal of Mathematical Chemistry

Volumn 32, Issue 4, 2002, Pages 309-322

  Guseinov, I I ^a   Mamedov, B A ^b  

^a ÇANAKKALE ONSEKIZ MART UNIVERSITY   (Turkey)

^b GAZIOSMANPASA UNIVERSITY   (Turkey)

Author keywords

Exponential type orbitals; Multicenter integrals; Overlap integrals; Slater type orbitals

Indexed keywords

ANALYTIC METHOD; ANALYTICAL PARAMETERS; ARTICLE; CORRELATION ANALYSIS; ELECTRON TRANSPORT; FOURIER TRANSFORMATION; MATHEMATICAL ANALYSIS; NUCLEAR PHYSICS; SCREENING;

EID: 0141497180     PISSN: 02599791     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1022926504733     Document Type: Article

References (44)

1. T. Kato, Commun. Pure Appl. Math. 10 (1957) 151.
2. S. Agmon, Lectures on Exponential Decay of Solutions of Second-Order Elliptic Equations: Bounds on Eigenfunctions of N-Body Schrödinger Operators (Princeton University Press, Princeton, NJ, 1982).
3. A.S. Coolidge, Phys. Rev. 42 (1932) 189.
4. R. Landshoff, Z. Phys. 102 (1936) 201.
5. P.O. Löwdin, Ark. Mat. Fys. Astron. A 35 (1947) 9.
6. M.P. Barnett and C.A. Coulson, Philos. Trans. Roy. Soc. London Ser. A 243 (1951) 221.
7. F.E. Harris and H.H. Michels, J. Chem. Phys. 43 (1965) S165; 45 (1966) 116.
8. F.E. Harris and H.H. Michels, J. Chem. Phys. 43 (1965) S165; 45 (1966) 116.
9. R.R. Sharma, Phys. Rev. A 13 (1976) 517.
10. H.J. Silverstone, J. Chem. Phys. 47 (1967) 537.
11. H.J. Silverstone and R.K. Moats, J. Chem. Phys. 16 (1977) 1731.
12. K.G. Kay and H.J. Silverstone, J. Chem. Phys. 51 (1969) 4287.
13. E.O. Steinborn and E. Filter, Theor. Chim. Acta. 38 (1975) 247.
14. E. Filter and E.O. Steinborn, J. Math. Phys. 21 (1980) 2725.
15. E.J. Weniger and E.O. Steinborn, J. Chem. Phys. 78 (1983) 6221.
16. H.P. Trivedi and E.O. Steinborn, Phys. Rev. A 27 (1983) 670.
17. H.W. Jones, Int. J. Quant. Chem. 61 (1997) 881.
18. A. Bouferguene and H.W. Jones, J. Chem. Phys. 109 (1998) 5718.
19. H. Safouhi and P.E. Hoggan, J. Phys. A: Math. Gen. 31 (1998) 8941.
20. H. Safouhi, J. Phys. A: Math. Gen. 34 (2001) 881; 34 (2001) 2801.
21. H. Safouhi, J. Phys. A: Math. Gen. 34 (2001) 881; 34 (2001) 2801.
22. H. Safouhi, J. Comput. Phys. 165 (2000) 473.
23. H.L. Kennedy and Y. Zhao, Int. J. Quant. Chem. 71 (1999) 1.
24. V. Magnasco and A. Rapallo, Int. J. Quant. Chem. 79 (2000) 91.
25. M.P. Barnett, Int. J. Quant. Chem. 76 (2000) 464.
26. J.F. Rico, J.J. Fernandez, I. Ema, R. Lopez and G. Ramirez, Int. J. Quant. Chem. 81 (2001) 16.
27. I.I. Guseinov, Int. J. Quant. Chem. 81 (2001) 126.
28. V.A. Fock, Z. Phys. 98 (1935) 145.
29. V.A. Fock, Kgl. Norske Vidensk. Forh. 31 (1958) 138.
30. T. Shibuya and C.E. Wulfman, Proc. Roy. Soc. A 286 (1965) 376.
31. B.R. Judd, Angular Momentum Theory for Diatomic Molecules (Acadmic Press, New York, 1975).
32. J. Avery, Hyperspherical Harmonics and Generalized Sturmians (Kluwer Academic, Dordrecht, Netherlands, 2000).
33. J. Avery and R. Shim, Int. J. Quant. Chem. 83 (2001) 1.
34. I.I. Guseinov, Int. J. Quant. Chem. 90 (2002) 114.
35. I.I. Guseinov, Int. J. Quant. Chem. 90 (2002) 980.
36. I.I. Guseinov, A. Özmen, Ü. Atav and H. Yüksel, Int. J. Quant. Chem. 67 (1998) 199.
37. I.I. Guseinov and B.A. Mamedov, J. Mol. Struct. (Theochem) 465 (1999) 1.
38. I.S. Gradshteyn and I.M. Ryzhik, Tables of Integrals, Sums, Series and Products, 4th ed. (Academic Press, New York, 1980).
39. E.U. Condon and G.H. Shortley, The Theory of Atomic Spectra (Cambridge University Press, Cambridge, 1970).
40. I.I. Guseinov, A.Ihk and S.I. Allahverdiyev, Int. J. Quant. Chem. 60 (1996) 637.
41. F.P. Prosser and C.H. Blanchard, J. Chem. Phys. 36 (1962) 1112.
42. H.J. Silverstone, J. Chem. Phys. 45 (1966) 4337.
43. I.I. Guseinov, J. Phys. B 3 (1970) 1399.
44. I.I. Guseinov, J. Mol. Struct. (Theochem) 417 (1997) 117.