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Comment on “Computation of Two‐Center Coulomb Integrals over Slater‐Type Orbitals Using Elliptical Coordinates”
Author(s) -
Harris Frank E.
Publication year - 2003
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/qua.10567
Subject(s) - atomic orbital , coulomb , computation , slater integrals , center (category theory) , elliptic coordinate system , physics , focus (optics) , type (biology) , mathematical physics , quantum mechanics , slater type orbital , computational chemistry , classical mechanics , mathematics , spherical coordinate system , chemistry , linear combination of atomic orbitals , algorithm , crystallography , ecology , biology , optics , electron
In a recent article in this journal, Özmen, Karakas, Atav, and Yakar gave formulas for the evaluation of two‐center Coulomb integrals over Slater‐type orbitals (STOs) in ellipsoidal coordinates Int J Quantum Chem 2003, 91, 13–19. The relation of this work to the rich literature on STO integral evaluation is reviewed, with focus on the important issues of speed of computation and numerical stability. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem 93: 332–334, 2003