Dispersion energy between closed-shell and half-closed-shell molecules.an ab inito calculation from a perturbation procedure on LiHe
- 1 December 1980
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 76 (3) , 568-572
- https://doi.org/10.1016/0009-2614(80)80670-1
Abstract
No abstract availableKeywords
This publication has 22 references indexed in Scilit:
- Theoretical study of the [chlorine] (Cl2)2 dimerJournal of the American Chemical Society, 1978
- Use of some predominant intermolecular (or interatomic) energy contributions to characterize van der waals molecules. Ab initio calculations on two neon atomsChemical Physics Letters, 1977
- Dispersion energy in rare gas dimers from an ab initio perturbative procedure: Ne + Ne, Ar + ArChemical Physics Letters, 1975
- Ab initio intermolecular energies between Li+ and H2 near the van der waals minimum: comparison between a perturbative procedure and an SCF supermolecule treatmentChemical Physics Letters, 1974
- Dispersion energy between two neon atoms from an ab initio perturbative procedureChemical Physics Letters, 1974
- Evaluation of the intermolecular energy between two hydrogen molecules near the van der Waals minimum, from a perturbative procedureThe Journal of Chemical Physics, 1973
- Influence of the basis set on the dispersion energy between two hydrogen molecules from a non-empirical calculationChemical Physics Letters, 1972
- Calculation of the dispersion contribution to the interaction energy of two hydrogen molecules at large but finite distancesChemical Physics Letters, 1971
- The electronic spectra of the anion radicals of substituted benzenesTheoretical Chemistry Accounts, 1966
- Electronic spectra of alternant hydrocarbon mononegative ionsRecueil des Travaux Chimiques des Pays-Bas, 1957