Semi-direct algorithms for the MP2 energy and gradient
- 1 February 1990
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 166 (3) , 281-289
- https://doi.org/10.1016/0009-2614(90)80030-h
Abstract
No abstract availableThis publication has 13 references indexed in Scilit:
- Avoiding the integral storage bottleneck in LCAO calculations of electron correlationPublished by Elsevier ,2001
- A direct MP2 gradient methodChemical Physics Letters, 1990
- Electronic structure calculations on workstation computers: The program system turbomoleChemical Physics Letters, 1989
- Improvements on the direct SCF methodJournal of Computational Chemistry, 1989
- MP2 energy evaluation by direct methodsChemical Physics Letters, 1988
- A method for two-electron Gaussian integral and integral derivative evaluation using recurrence relationsThe Journal of Chemical Physics, 1988
- The direct CI methodMolecular Physics, 1983
- Principles for a direct SCF approach to LICAO–MOab‐initio calculationsJournal of Computational Chemistry, 1982
- Pre-processing two-electron integrals for efficient utilization in many-electron self-consistent field calculationsChemical Physics Letters, 1973
- Construction of the hamiltonian matrix in large configuration interaction calculationsJournal of Computational Physics, 1973