Second-order BSSE-free perturbation theory: intermolecular interactions within supermolecular approach
- 1 May 1991
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 180 (1-2) , 114-120
- https://doi.org/10.1016/0009-2614(91)87126-v
Abstract
No abstract availableThis publication has 26 references indexed in Scilit:
- Proper correction for the basis set superposition error in SCF calculations of intermolecular interactionsMolecular Physics, 1987
- The superposition error problem: The (HF)2 and (H2O)2 complexes at the SCF and MP2 levelsJournal of Molecular Structure: THEOCHEM, 1986
- Improved counterpoise corrections for the a b i n i t i o calculation of hydrogen bonding interactionsThe Journal of Chemical Physics, 1986
- Systematic study of basis set superposition errors in the calculated interaction energy of two HF moleculesThe Journal of Chemical Physics, 1985
- An ab initio study of the binding of N2 to Na+ and K+Chemical Physics Letters, 1984
- van der Waals interaction potentialsMolecular Physics, 1983
- Perturbative ab initio calculations of intermolecular energies. I. MethodInternational Journal of Quantum Chemistry, 1974
- The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errorsMolecular Physics, 1970
- Molecular-Orbital Studies of Hydrogen Bonds. An Ab Initio Calculation for Dimeric H2OThe Journal of Chemical Physics, 1968
- Study of the Electronic Structure of Molecules. II. Wavefunctions for the NH3+HCl→NH4Cl ReactionThe Journal of Chemical Physics, 1967