Master formulas for two- and three-center one-electron integrals involving cartesian GTO, STO, and BTO

International Journal of Quantum Chemistry

Volumn 78, Issue 2, 2000, Pages 83-93

  Fernandez Rico J ^a   Fernandez J J ^a   Ema, I ^a   Lopez R ^a   Ramirez G ^a  

^a UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

COMBINATORIAL MATHEMATICS; ELECTRON ENERGY LEVELS; INTEGRAL EQUATIONS; MATHEMATICAL MODELS; MATHEMATICAL OPERATORS; MOLECULAR PHYSICS; POLYNOMIALS;

BASIS FUNCTIONS; BESSEL FUNCTIONS; EXPONENTIAL-TYPE ORBITALS; GAUSSIAN FUNCTIONS; RECURRENCE RELATIONS; SHIFT OPERATORS; SLATER FUNCTIONS;

QUANTUM THEORY;

EID: 0038001833     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(2000)78     Document Type: Article

References (23)

1. Fernández Rico, J.; López, R.; Aguado, A.; Ema, I.; Ramírez, G. J Comput Chem 1998, 19, 1284-1293.
2. Steinborn, E. O.; Homeier, H. H. H.; Ema, I.; López, R.; Ramírez, G. Int J Quant Chem 1999, 76, 244-251.
3. Steinborn, E. O.; Homeier, H. H. H.; Fernández Rico, J.; Ema, I.; López, R.; Ramírez, G. J Mol Struct (Theochem) 1999, 490, 201-217.
4. Fernández Rico, J.; Fernández, J. J.; López, R.; Ramírez, G. Int J Quant Chem, to appear.
5. Fernández Rico, J.; López, R.; Ramírez, G.; Ema, I. In Fernández Rico, J.; García de la Vega, J. M., Eds.; Temas actuales de Química Cuántica; Ed. Universidad Autónoma de Madrid: Madrid, 1998, and references therein.
6. Fernández Rico, J.; López, R.; Ramírez, G., submitted.
7. Saunders, V. R. In Diercksen, G. H. F.; Sutcliffe, B. T.; Veillard, A., Eds.; Computational Techniques in Quantum Chemistry and Molecular Physics; Reidel: Boston, 1975; pp. 347-392.
8. Gradshteyn, I. S.; Ryzhik, I. M. Table of Integrals, Series and Products, 4th ed.; Academic: New York, 1980; Eq. (8.468)
9. Fernández Rico, J.; López, R.; Ramírez, G. J Comp Chem 1988, 9, 790-797.
10. Fernández Rico, J.; López, R.; Ramírez, G. Int J Quant Chem 1990, 37, 69-83.
11. Fernández Rico, J.; López, R.; Ramírez, G. J Chem Phys 1992, 97, 7613-7622.
12. Fernández Rico, J.; López, R.; Ramírez, G. J Chem Phys 1991, 94, 5032-5039.
13. Barnett, M. P.; Coulson, C. A. Philos Trans Roy Soc A 1951, 243, 221. Barnett, M. P. In Aldler, B., Ed.; Methods of Computational Physics, Vol. 2; Academic: New York, 1963; p. 95.
14. Barnett, M. P.; Coulson, C. A. Philos Trans Roy Soc A 1951, 243, 221. Barnett, M. P. In Aldler, B., Ed.; Methods of Computational Physics, Vol. 2; Academic: New York, 1963; p. 95.
15. Fernández Rico, J.; López, R.; Ramírez, G. Int J Quant Chem 1988, 34, 121-131.
16. Fernández Rico, J. J Comp Chem 1993, 14, 1203-1211.
17. See Ref. [8], Eq. (9.21).
18. Filter, E.; Steinborn, E. O. J Math Phys 1978, 19, 79. See Ref. [18], Eq. (9.14.1).
19. Watson, G. N. A Treatise on the Theory of Bessel Functions, 2nd ed.; Cambridge University Press: Cambridge, 1966; p. 140.
20. See Ref. [18], p. 365.
21. See Ref. [8], Eq. (9.14.1).
22. See Ref. [8], Eq. (9.24).
23. See Ref. [8], Eq. (8.432.6).