Scaled electron gas approximation for intermolecular forces
- 1 August 1979
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 71 (3) , 1325-1339
- https://doi.org/10.1063/1.438433
Abstract
An electron gas theory for intermolecular forces due to Gordon and Kim is modified by multiplicative scaling factors for the kinetic, exchange, and correlation terms in the energy functional. The scale factors are determined uniquely by the condition that the energy functional yield correct results for the corresponding terms in an atom isoelectronic to the molecular systems of interest. The calculated intermolecular forces are in better agreement with experimental data for light neutral atoms such as helium. For systems involving ions and/or heavier neutral atoms, agreement with experiment is not significantly better or worse than with the original theory.Keywords
This publication has 20 references indexed in Scilit:
- Hartree-Fock densities in Thomas-Fermi-Dirac formulas including the inhomogeneity termPhysical Review A, 1976
- Theory of the lattice energy, equilibrium structure, elastic constants, and pressure-induced phase transitions in alkali-halide crystalsPhysical Review B, 1975
- Modified statistical method for intermolecular potentials. Combining rules for higher van der Waals coefficientsThe Journal of Chemical Physics, 1974
- Unified theory for the intermolecular forces between closed shell atoms and ionsThe Journal of Chemical Physics, 1974
- On the theory of intermolecular forces between inert gas atomsChemical Physics Letters, 1974
- Study of the electron gas approximationThe Journal of Chemical Physics, 1974
- A theory for the interactions between closed shell systemsChemical Physics Letters, 1973
- Theory for the Forces between Closed-Shell Atoms and MoleculesThe Journal of Chemical Physics, 1972
- Exchange- and Correlation-Energy Calculations in Finite SystemsPhysical Review A, 1971
- Zur Theorie der KernmassenThe European Physical Journal A, 1935