New variations in two-electron integral evaluation in the context of direct SCF procedures
- 1 February 1991
- journal article
- Published by Elsevier in Chemical Physics
- Vol. 150 (2) , 163-171
- https://doi.org/10.1016/0301-0104(91)80126-3
Abstract
No abstract availableKeywords
This publication has 25 references indexed in Scilit:
- Avoiding the integral storage bottleneck in LCAO calculations of electron correlationPublished by Elsevier ,2001
- MP2 energy evaluation by direct methodsChemical Physics Letters, 1988
- Efficient recursive computation of molecular integrals over Cartesian Gaussian functionsThe Journal of Chemical Physics, 1986
- Principles for a direct SCF approach to LICAO–MOab‐initio calculationsJournal of Computational Chemistry, 1982
- Efficient evaluation of molecular integrals over s,p,d,f gaussian basis setsComputers & Chemistry, 1979
- Computation of electron repulsion integrals involving contracted Gaussian basis functionsJournal of Computational Physics, 1978
- One- and two-electron integrals over cartesian gaussian functionsJournal of Computational Physics, 1978
- Evaluation of molecular integrals over Gaussian basis functionsThe Journal of Chemical Physics, 1976
- Numerical integration using rys polynomialsJournal of Computational Physics, 1976
- Electronic wave functions - I. A general method of calculation for the stationary states of any molecular systemProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1950