Rigorous formula for the fast calculation of the electron repulsion integral over the solid harmonic Gaussian-type orbitals
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.476628
Reference17 articles.
1. Gaussian Wave Functions for Polyatomic Molecules
2. Three-center Gaussian-type-orbital integral evaluation using solid spherical harmonics
3. Recurrence relations for the evaluation of electron repulsion integrals over spherical Gaussian functions
4. ACE algorithm for the rapid evaluation of the electron-repulsion integral over Gaussian-type orbitals
5. Gaussian-Expansion Methods for Molecular Integrals
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