The long range model of intermolecular forces
- 20 December 1983
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 50 (6) , 1349-1361
- https://doi.org/10.1080/00268978300103091
Abstract
Results of an SCF supermolecule study of Ne .. HF are compared with the long range model of the interaction energy and dipole moment. A minimum is found for linear Ne .. HF with R(Ne-F) ≈ 7·25 a 0. When basis superposition error is considered in detail, the long range model accounts for the SCF energy and dipole in as far as the minimum.Keywords
This publication has 17 references indexed in Scilit:
- The in-crystal polarizability of the fluoride ionMolecular Physics, 1983
- Distributed multipole analysis, or how to describe a molecular charge distributionChemical Physics Letters, 1981
- MCSCF calculations of the properties of hydrogen fluorideMolecular Physics, 1978
- Rotational spectroscopy of van der Waals moleculesFaraday Discussions of the Chemical Society, 1977
- Hydrogen bonding between neon and hydrogen fluorideThe Journal of Chemical Physics, 1974
- Simple basis sets for molecular wavefunctions containing atoms from Z = 2 to Z = 54The Journal of Chemical Physics, 1974
- Gaussian Basis Functions for Use in Molecular Calculations. III. Contraction of (10s6p) Atomic Basis Sets for the First-Row AtomsThe Journal of Chemical Physics, 1971
- The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errorsMolecular Physics, 1970
- Electronic Structure of Diatomic Molecules. VI.A. Hartree—Fock Wavefunctions and Energy Quantities for the Ground States of the First-Row Hydrides, AHThe Journal of Chemical Physics, 1967
- An Exact Calculation of Second Order Long Range ForcesProceedings of the Physical Society. Section A, 1957