The Ground State of the Hydrogen Molecule
Abstract
The method used by Hylleraas in treating the He atom has been extended to the H_{2} 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.
 Publication:

Journal of Chemical Physics
 Pub Date:
 December 1933
 DOI:
 10.1063/1.1749252
 Bibcode:
 1933JChPh...1..825J