SCF, IEPA, PNOCI, and CEPA2-PNO analysis of the anisotropy of (H2)2 interaction near the minimum in the van der Waals interaction
- 1 July 1983
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 79 (1) , 526-527
- https://doi.org/10.1063/1.445508
Abstract
The nature of the anisotropy of the H2–H2 interaction is investigated in some detail. The electron correlation effects and their influence toward the anisotropy of the (H2) dimer interaction are discussed in some detail. (AIP)Keywords
This publication has 7 references indexed in Scilit:
- State resolved rotational excitation in HD+D2 collisions. II. Angular dependence of 0→2 transitionsThe Journal of Chemical Physics, 1983
- Routes to full CI through extrapolation in multireference configuration calculations for electronic structuresInternational Journal of Quantum Chemistry, 1983
- Basis set refinement in theoretical modelling of molecular electronic structuresMolecular Physics, 1982
- The (H2)2 potential surface and the interaction between hydrogen molecules at low temperaturesThe Journal of Chemical Physics, 1982
- Theoretical studies of H2–H2 collisions. I. Elastic scattering of ground state para- and ortho-H2 in the rigid rotor approximationThe Journal of Chemical Physics, 1979
- PNO–CI (pair natural orbital configuration interaction) and CEPA–PNO (coupled electron pair approximation with pair natural orbitals) calculations of molecular systems. I. Outline of the method for closed-shell statesThe Journal of Chemical Physics, 1975
- Intermolecular forces for D2, N2, O2, F2 and CO2Chemical Physics, 1974