Premium
Recurrence formulas for molecular integrals over Laguerre Gaussian‐type functions
Author(s) -
Arakane Fusanori,
Matsuoka Osamu
Publication year - 1998
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/(sici)1097-461x(1998)66:4<273::aid-qua2>3.0.co;2-s
Subject(s) - laguerre polynomials , gaussian , recurrence relation , type (biology) , homogeneous , spherical harmonics , cartesian coordinate system , mathematics , mathematical physics , mathematical analysis , physics , quantum mechanics , combinatorics , geometry , ecology , biology
Recurrence formulas for overlap, nuclear attraction, and electron‐repulsion integrals over Laguerre Gaussian‐type functions are presented. They have been derived using compact recurrence relations for homogeneous solid spherical harmonic operators but are rather lengthy as compared to those over Cartesian Gaussian‐type functions. © 1998 John Wiley & Sons, Inc. Int J Quant Chem 66 : 273–279, 1998