Unified analytical treatment of one-electron two-center integrals with noninteger n Slater-type orbitals

Theoretical Chemistry Accounts

Volumn 103, Issue 6, 2000, Pages 463-468

  Mekelleche, Sidi Mohamed ^a   Baba Ahmed, Abdellatif ^a  

^a UNIVERSITY OF TLEMCEN   (Algeria)

Author keywords

Noninteger "quantum numbers"; One electron integrals; Overlap integrals; Slater type orbitals; Two center integrals

Indexed keywords

EID: 0040788045     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002149900084     Document Type: Article

References (61)

1. Roothaan CCJ (1951) Rev Mod Phys 23: 69
2. Davidson ER, Feller D (1986) Chem Rev 86: 681
3. Kato T (1957) Commun Pure Appl Math 10: 151
4. Agmon S (1988) Anal Math Appl 1: 1
5. Agmon S (1982) Lectures on exponential decay of solutions of second-order elliptic equations: bounds on eigenfunctions of N-body Schrödinger operators Princeton University, Princeton
6. (a) Ahlrichs R (1972) Chem Phys Lett 15: 609;
7. (b) Ahlrichs R (1973) Chem Phys Lett 18: 521
8. Boys SF (1950) Proc R Soc A Lond Ser 200: 542
9. Hehre WH, Radom L, Schleyer PR, Pople JA (1986) Ab initio molecular orbital theory Wiley, New York
10. Kutzelnigg W (1988) J Mol Struct (Theochem) 50: 33
11. Bouferguene A, Fares M, Hoggan PE (1996) Int J Quantum Chem 57: 801
12. Fernandez Rico J, Lopez R, Aguado R, Ema I, Ramirez G (1998) J Comput Chem 19: 1284
13. Safouhi H, Hoggan PE (1998) J Phys A 31: 8941-8951
14. Safouhi H, Pinchon D, Hoggan PE (1998) Int J Quantum Chem 70: 181-188
15. Weatherford CA, Jones HW (eds) (1982) 1981 International Conference on ETO Multicenter Molecular Integrals, Tallahassee, Reidel, Dordrecht
16. Fernandez Rico J, Lopez R, Ramirez G (1988) J Comput Chem 9: 790
17. Fernandez Rico J, Lopez R, Ramirez G (1989) J Chem Phys 91: 4204
18. Bouferguene A, Rinaldi D (1994) Int J Quantum Chem 50: 21
19. Jones HW (1997) Int J Quantum Chem 61: 881
20. Guseinov II, Yassen RF (1995) Int J Quantum Chem 54: 197
21. (a) Grotendorst J, Weniger EJ, Steinborn EO (1986) Phys Rev A 33: 3706;
22. (b) Weniger EJ, Grotendorst J, Steinborn EO (1986) Phys Rev A 33: 3688;
23. Steinborn EO, Homeier HHH (1990) Int J Quantum Chem Symp 24: 349;
24. Homeier HHH, Steinborn EO (1990) J Comput Phys 87: 61;
25. (e) Homeier HHH, Steinborn EO (1991) Int J Quantum Chem 39: 625;
26. (f) Homeier HHH, Steinborn EO (1992) Int J Quantum Chem 42: 761
27. Hierse HW, Oppeneer PM (1994) Int J Quantum Chem 52: 1249
28. (a) Bhattacharya AK, Dhabal SC (1986) J Chem Phys 84: 1598;
29. (b) Weniger EJ, Steinborn EO (1987) J Chem Phys 87: 3709
30. Silverstone HJ (1966) J Chem Phys 45: 4337
31. Slater JC (1930) Phys Rev 36: 57
32. (a) Parr RG, Joy HW (1957) J Chem Phys 26: 424;
33. (b) Joy HW, Parr RG (1958) J Chem Phys 28: 448
34. Snyder LG (1960) J Chem Phys 33: 1711
35. (a) Saturno AF, Parr RG (1958) J Chem Phys 29: 490;
36. (b) Saturno AF, Parr RG (1960) J Chem Phys 33: 22
37. Snyder LG (1960) J Chem Phys 33: 1711
38. Bishop DM (1967) Adv Quantum Chem 3: 25
39. (a) Geller M (1962) J Chem Phys 36: 2424;
40. (b) Geller M (1963) J Chem Phys 39: 84;
41. Geller M (1964) J Chem Phys 41: 4006
42. Allouche A (1976) Theor Chim Acta 42: 325
43. Taylor WJ (1978) J Math Phys 19: 52
44. Baba-Ahmed A, Gayoso J (1983) Theor Chim Acta 62: 507
45. Baba-Ahmed A, Gayoso J, Maouche B, Ouamerali O (1984), QCPE Bull. 4 program QCPE 474
46. Mekelleche SM, Baba-Ahmed A (1991), QCPE Bull, 11 program QCMP 099
47. Mekelleche SM, Baba-Ahmed A (1997) Int J Quantum Chem 63: 843
48. Koga T, Kanayama K (1997) Chem Phys Lett 266: 123
49. Koga T, Kanayama K. Thakkar AJ (1997) Int J Quantum Chem 62: 1
50. Koga T, Kanayama K (1997) J Phys B At Mol Opt Phys 30: 1623
51. Koga T, Garcia de Ia Vega JM, Miguel B (1998) Chem Phys Lett 283: 97
52. Steinborn EO, Ruedenberg K (1973) Adv Quantum Chem 7: 1
53. Condon EU, Shortley GH (1970) The theory of atomic spectra. Cambridge University Press, Cambridge, p 48
54. Magnus W, Oberhettinger F, Soni RP (1966) Formulas and theorems for the special functions of mathematical physics. Springer, Berlin, Heidelberg New York, p 167
55. Jahnke E, Emde E (1945) Tables of functions with formulae and curves. Dover, New York
56. Wahl AC, Cade PE, Roothaan CC (1964) J Chem Phys 41: 2578
57. Gradshteyn IS, Ryzhik IM (1980) Tables of integrals, series, and products, 4th edn. Academic Press, New York, Eq 8.350, p 940
58. Press WH, Flannery BP, Teukosky SA, Vatterling WT (1989) Numerical recipes (Fortran version). Cambridge University Press, Cambridge, pp. 160-163
59. Jones WB, Thron WJ (1985) J Comput Appl Math 12-13: 401
60. Jones WB, Thron WJ (1980) Continued fractions: analytic theory and applications, encyclopedia of mathematics and its applications 11. Addisson-Wesley, Reading, Mass
61. Wall HS (1948) Analytic theory of continued fractions. Van Nostrand, New York