Formulas and numerical table for the radial part of overlap integrals with the same screening parameters of Slater-type orbitals

Theoretical Chemistry Accounts

Volumn 106, Issue 4, 2001, Pages 264-270

  Oztekin E ^a   Yavuz, M ^a   Atalay, S ^a  

^a ONDOKUZ MAYIS UNIVERSITY   (Turkey)

Author keywords

Gegenbauer coefficients; Recursion relations; The radial parts of overlap integrals with the same screening parameters

Indexed keywords

EID: 0035622892     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002140100275     Document Type: Article

References (72)

1. Coulson CA (1941) Proc Camb Philos Soc 38: 210
2. Roothaan CCJ (1951) J Chem Phys 19: 1450
3. McLean AD (1971) In: Lester WA Jr (ed) Proceeding of the conference on potential energy surfaces in chemistry. IBM. San Jose, Calif, pp 108-113
4. Mulliken R, Rieke C, Orloff D, Orloff H (1949) J Chem Phys 17: 1278
5. Kotani M, Ameniya A, Ishigura E, Kiniura T (1963) Tables of molecular integrals. Maruzen, Tokyo
6. (a) Todd HD, Kay KG, Silverstone HJ (1970) J Chem Phys 53: 3951;
7. (b) Silverstone HJ (1975) In: Eyring H, Henderson D, Jost W (eds) Physical chemistry: an advanced treatise, vol XIA. Academic, New York, pp 59-65
8. Filter E, Steinborn EO (1978) Phys Rev A 18: 1
9. Trivedi HP, Steinborn EO (1983) Phys Rev A 27: 670
10. Homeier HHH, Steinborn EO (1992) Int J Quantum Chem 42: 761
11. Shavitt I (1963) In: Alder B, Fernbach S, Rotenberg M (eds) Methods in computational physics. Academie, New York, pp 1-45
12. Todd HD, Kay KG, Silverstone HJ (1970) J Chem Phys 53: 395
13. Antolovic D, Delhalle J (1980) Phys Rev A 21: 1815
14. (a) Jones HW (1980) Int J Quantum Chem 41: 749;
15. (b) Jones HW (1997) Int J Quantum Chem 61: 881
16. Boys SF (1950) Proc R Soc Lond Ser A 201: 125
17. Malagoli M, Thiel W (1995) Chem Phys 206: 73
18. Doggett G (1984) J Chem Soc Faraday Trans 2 80: 1413
19. Francisco E, Pueyo L (1988) Phys Rev B 37: 5278
20. Garcia de la Vega JM, Miguel B (1988) J Comput Chem 12: 1172
21. Weatherford CA, Jain BL (1980) Int J Quantum Chem Symp 14: 493
22. Etemadi B, Jones HW (1993) Int J Quantum Chem Symp 27: 755
23. Bolotin AB, Kuzmenko VV, Rossikhin VV. Vonronkov EO (1994) J Mol Struct (THEOCHEM) 117: 233
24. Op de Beek SS, Driessen JPJ, Beijerinck HCV, Verhaur BJ (1997) J Chem Phys 106: 182
25. Mulliken RS, Rieke CA, Orloff D, Orloff H (1949) J Chem Phys 17: 1248
26. Roothaan CCJ (1951) J Chem Phys 19: 1445
27. Ruedenberg K (1951) J Chem Phys 19: 1459
28. Ruedenberg K, Roothaan CCJ, Jauzemis W (1954) J Chem Phys 24: 201
29. (a) Jones HW (1981) Int J Quantum Chem 20: 1217:
30. (b) Jones HW (1982) Int J Quantum Chem 21: 1079:
31. (c) Jones HW (1983) Int J Quantum Chem 23: 953:
32. (d) Jones HW (1984) Phys Rev A 30: 1:
33. (e) Jones HW (1984) Int J Quantum Chem Symp 18: 61:
34. (f) Jones HW (1986) Int J Quantum Chem Symp 19: 157:
35. (g) Jones HW (1997) Int J Quantum Chem 61: 881
36. Bouferguene A. Rinaldi D (1994) Int J Quantum Chem 50: 21
37. Bouferguene A, Fares M (1994) Int J Quantum Chem 51: 345
38. (a) Fernández Rico J, López R, Ramirez G (1988) J Comput Chem 9: 790;
39. (b) Fernández Rico J, López R, Ramirez G (1989) J Comput Chem 10: 869;
40. (c) Fernández Rico J López R, Ramirez G (1989) J Chem Phys 91: 4202:
41. (d) Fernández Rico J, López R, Ramirez G (1989) J Chem Phys 91: 4213:
42. (e) Fernández Rico J, López R, Ramirez G (1990) Int J Quantum Chem 37: 69;
43. (f) Fernández Rico J, López R, Paniagua M, Ramirez G (1991) Comput Phys Commun 64: 329;
44. (g) Fernández Rico J, López R, Ramirez G (1991) J Chem Phys 94: 5032;
45. (h) Fernández Rico J, López R, Ramirez G (1992) J Chem Phys 97: 7613;
46. (i) Fernández Rico J, Lopez R, Ramirez G (1992) Stud Phys Theor Chem 77: 241;
47. (j) Fernández Rico J, López R, Ramirez G, Tablero C (1994) J Chem Phys 101: 9807;
48. (k) Fernández Rico J. López R, Ema I, Ramirez G (1997) Comput Phys Commun 105: 216;
49. (l) Fernández Rico J, Fernández JJ, Ema I, López R, Ramirez G (2000) Int J Quantum Chem 78: 83;
50. (m) Fernández Rico J, Fernández JJ, López R, Ramirez G (2000) Int J Quantum Chem 78: 137
51. (a) Filter E, Steinborn EO (1980) J Math Phys 21: 2725;
52. (b) Weniger EJ, Steinborn EO (1983) Phys Rev A 28: 2026;
53. (c) Trivedi HP, Steinborn EO (1983) Phys Rev A 27: 670;
54. (d) Homeier HHH, Steinborn EO (1992) Int J Quantum Chem 41: 399;
55. (e) Homeier HHH, Steinborn EO (1992) Int J Quantum Chem 42: 761;
56. (f) Steinborn EO, Homeier HHH, Ema I, Lopez R, Ramirez G (2000) Int J Quantum Chem 76: 244
57. (a) Magnasco V, Rapallo A, Casanova M (1999) Int J Quantum Chem 73: 333;
58. (b) Magnasco V, Rapallo A (2000) Int J Quantum Chem 79: 91
59. (a) Guseinov II (1985) Phys Rev A 31: 2851;
60. (b) Guseinov II (1986) Int J Quantum Chem Symp 19: 149;
61. (c) Guseinov II (1987) Int J Quantum Chem 31: 565
62. Tai H (1992) Phys Rev A 45: 1454
63. Talman JD (1993) Phys Rev A 48: 243
64. Hierse W, Oppeneer PM (1994) Int J Quantum Chem 52: 1249
65. Guseinov II, Ilik A, Allahverdiyev SI (1996) Int J Quantum Chem 60: 637
66. Guseinov II, Öztekin E, Hüseyin S (2001) J Mol Struct (THEOCHEM) 536: 59
67. Guseinov II (1985) Phys Rev A 32: 1864
68. Guseinov II (1970) J Phys B 3: 1399
69. Guseinov II (1995) J Mol Struct (THEOCHEM) 336: 17
70. Gradshteyn IS, Ryzhik IM (1965) Tables of integrals, sums, series and products. Academic, New York
71. Guseinov II (1996) J Mol Struct (THEOCHEM) 83: 367
72. Guseinov II, Özmen A, Atav Ü, Yüksel H (1995) J Comput Phys 122: 343