A full-CI investigation into the BSSE problem
- 8 July 1994
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 224 (1-2) , 166-174
- https://doi.org/10.1016/0009-2614(94)00523-0
Abstract
No abstract availableKeywords
This publication has 16 references indexed in Scilit:
- Comparison of a posteriori and a priori BSSE correction schemes for SCF intermolecular energiesJournal of Computational Chemistry, 1993
- A BSSE‐free SCF algorithm for intermolecular interactions. II. Sample calculations on hydrogen‐bonded complexesInternational Journal of Quantum Chemistry, 1992
- Monomer geometry relaxation and the basis set superposition errorChemical Physics Letters, 1992
- A BSSE‐free SCF algorithm for intermolecular interactionsInternational Journal of Quantum Chemistry, 1991
- An analytical investigation into the bsse problemJournal of Molecular Structure: THEOCHEM, 1991
- Improved intermolecular SCF theory and the BSSE problemInternational Journal of Quantum Chemistry, 1989
- SCF theory of intermolecular interactions without basis set superposition errorChemical Physics Letters, 1987
- Towards a “Chemical” HamiltonianInternational Journal of Quantum Chemistry, 1983
- The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errorsMolecular Physics, 1970
- Non-empirical molecular orbital calculations on the protonation of carbon monoxideChemical Physics Letters, 1969