The Ground State of the Hydrogen Molecule
- 1 December 1933
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 1 (12) , 825-835
- https://doi.org/10.1063/1.1749252
Abstract
The method used by Hylleraas in treating the He atom has been extended to the H2 molecule. The method consists of setting up a wave function as a series in the five variables required, electronic separation being introduced explicitly as one of the variables. The coefficients are then determined so as to produce the lowest energy. The energy found is within 0.03 v.e. of the most probable experimental value, while the form and location of the potential energy curve for various internuclear distances agree with those deduced from spectra to within similar limits. The value of the function is computed for several configurations of the electrons, and compared with other approximations. Application of the method to other problems is discussed. A method is given for the numerical solution of secular equations of high degree.Keywords
This publication has 11 references indexed in Scilit:
- Successive Approximations by the Rayleigh-Ritz Variation MethodPhysical Review B, 1933
- Improved Calculation of Ground State ofPhysical Review B, 1933
- The Interpretation of Band Spectra Part III. Electron Quantum Numbers and States of Molecules and Their AtomsReviews of Modern Physics, 1932
- The Normal State of the Hydrogen MoleculePhysical Review B, 1931
- Über die Elektronenterme des WasserstoffmolekülsThe European Physical Journal A, 1931
- Numerische Berechnung der 2S-Terme von Ortho- und Par-HeliumThe European Physical Journal A, 1930
- The Theory and Calculation of Screening ConstantsPhysical Review B, 1930
- The-State of the Hydrogen MoleculePhysical Review B, 1929
- Neue Berechnung der Energie des Heliums im Grundzustande, sowie des tiefsten Terms von Ortho-HeliumThe European Physical Journal A, 1929
- The spectrum of H 2 . The Bands analogous to the parhelium line spectrum. —Part IIProceedings of the Royal Society of London. Series A, Containing Papers of a Mathematical and Physical Character, 1929