Improved SCF interaction energy decomposition scheme corrected for basis set superposition effect
- 1 March 1983
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 23 (3) , 847-854
- https://doi.org/10.1002/qua.560230308
Abstract
No abstract availableKeywords
This publication has 21 references indexed in Scilit:
- Approximate exchange perturbation study of intermolecular interactions in molecular complexesInternational Journal of Quantum Chemistry, 1978
- Ghost orbitals and the basis set extension effectsChemical Physics Letters, 1976
- Variation-perturbation treatment of the hydrogen bond between water moleculesMolecular Physics, 1976
- A new energy decomposition scheme for molecular interactions within the Hartree‐Fock approximationInternational Journal of Quantum Chemistry, 1976
- Molecular calculations with the MODPOT, VRDDO, and MODPOT/VRDDO procedures: I. HF, F2, HCl, Cl2, formamide, pyrrole, pyridine, and nitrobenzeneInternational Journal of Quantum Chemistry, 1976
- Weak intermolecular interactionTheoretical Chemistry Accounts, 1975
- Weak intermolecular interactionTheoretical Chemistry Accounts, 1975
- Perturbation calculations on the hydrogen bonds between some first-row atomsJournal of the American Chemical Society, 1971
- The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errorsMolecular Physics, 1970
- Perturbation theory for exchange forces, IChemical Physics Letters, 1967