Intermolecular interactions using small basis sets: Perturbation theory calculations avoiding basis set superposition error
- 1 August 1986
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 128 (4) , 358-362
- https://doi.org/10.1016/0009-2614(86)80377-3
Abstract
No abstract availableThis publication has 15 references indexed in Scilit:
- The basis set superposition error in correlated electronic structure calculationsChemical Physics Letters, 1986
- Second-quantization-based perturbation theory for intermolecular interactions without basis set superposition errorChemical Physics Letters, 1985
- Dimer centred basis set in the calculations of the first-order interaction energy with CI wavefunctionMolecular Physics, 1985
- Effective basis sets for calculations of exchange‐repulsion energyInternational Journal of Quantum Chemistry, 1984
- Towards a “Chemical” HamiltonianInternational Journal of Quantum Chemistry, 1983
- Unique determination of the He2 ground state potential from experiment by use of a reliable potential modelThe Journal of Chemical Physics, 1982
- Self-consistent molecular orbital methods. XX. A basis set for correlated wave functionsThe Journal of Chemical Physics, 1980
- Interatomic correlation energy and the van der Waals attraction between two helium atomsChemical Physics Letters, 1971
- The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errorsMolecular Physics, 1970
- He–He Interaction in the SCF–MO ApproximationThe Journal of Chemical Physics, 1968