Parallel direct SCF for large-scale calculations
- 1 January 1993
- journal article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 84 (4-5) , 301-314
- https://doi.org/10.1007/bf01113269
Abstract
No abstract availableKeywords
This publication has 8 references indexed in Scilit:
- Ab initio methods for large systemsInternational Journal of Quantum Chemistry, 1991
- Improvements on the direct SCF methodJournal of Computational Chemistry, 1989
- A method for two-electron Gaussian integral and integral derivative evaluation using recurrence relationsThe Journal of Chemical Physics, 1988
- Reusability: The Case for Object-Oriented DesignIEEE Software, 1987
- Efficient recursive computation of molecular integrals over Cartesian Gaussian functionsThe Journal of Chemical Physics, 1986
- Literate ProgrammingThe Computer Journal, 1984
- Improved SCF convergence accelerationJournal of Computational Chemistry, 1982
- Computation of electron repulsion integrals involving contracted Gaussian basis functionsJournal of Computational Physics, 1978