A possible definition of basis set superposition error
- 1 January 1994
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 217 (1-2) , 48-54
- https://doi.org/10.1016/0009-2614(93)e1356-l
Abstract
No abstract availableKeywords
This publication has 127 references indexed in Scilit:
- Electron correlation contribution to the hydrogen bond in hydrogen fluoride dimerThe Journal of Physical Chemistry, 1993
- Comparison of a posteriori and a priori BSSE correction schemes for SCF intermolecular energiesJournal of Computational Chemistry, 1993
- Partial energy and chemical shielding surfaces in the water (H2O)2 and hydrogen fluoride (HF)2 van der Waals complexesThe Journal of Physical Chemistry, 1993
- On the basis set superposition error in the evaluation of water dimer interactionsThe Journal of Physical Chemistry, 1991
- An examination of the effects of basis set and charge transfer in hydrogen-bonded dimers with a constrained Hartree-Fock methodInternational Journal of Quantum Chemistry, 1991
- The effect of diffuse functions on minimal basis set superposition errors for H‐bonded dimersJournal of Computational Chemistry, 1990
- Theoretical studies of van der Waals molecules and intermolecular forcesChemical Reviews, 1988
- The decomposition of the SCF interaction energy in hydrogen bonded dimers corrected for basis set superposition errors: An examination of the basis set dependenceInternational Journal of Quantum Chemistry, 1987
- The effect of “full” and “limited” counterpoise corrections with different basis sets on the energy and the equilibrium distance of hydrogen bonded dimersInternational Journal of Quantum Chemistry, 1987
- Erratum: Systematic study of basis set superposition errors in the calculated interaction energy of two HF molecules [J. Chem. Phys. 8 2, 2418 (1985)]The Journal of Chemical Physics, 1986