Energy of Interaction between Two Hydrogen Atoms by the Gaussian-Type Functions
- 1 August 1967
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 47 (3) , 1005-1008
- https://doi.org/10.1063/1.1711979
Abstract
The interaction of two hydrogen atoms in their ground states is investigated with a Hirschfelder—Linnett type of wavefunction in which the exponentials are replaced by Gaussian‐type functions. It is found that these functions do not properly describe the long‐range interaction, although the same functions reasonably approximate the molecular energy near the equilibrium separation. The explicit formulas for the atomic integrals are tabulated.Keywords
This publication has 9 references indexed in Scilit:
- The long-range interaction between hydrogen atomsProceedings of the Physical Society, 1965
- Long-range interaction of two 1s-hydrogen atoms expressed in terms of natural spin-orbitalsMolecular Physics, 1965
- Many-Center Wavefunctions for the Hydrogen Molecule and the Hydrogen Molecular IonThe Journal of Chemical Physics, 1964
- Gaussian Orbitals for Many-Electron Molecular Wave FunctionsThe Journal of Chemical Physics, 1962
- Accurate Electronic Wave Functions for theMoleculeReviews of Modern Physics, 1960
- Long-range interaction of two ls-hydrogen atoms expressed in terms of natural spin-orbitalsMolecular Physics, 1959
- The Representation of Long Range Forces by Series Expansions I: The Divergence of the Series II: The Complete Perturbation Calculation of Long Range ForcesProceedings of the Physical Society. Section A, 1956
- Electronic wave functions - I. A general method of calculation for the stationary states of any molecular systemProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1950
- The Energy of Interaction between Two Hydrogen AtomsThe Journal of Chemical Physics, 1950