Application of the Method of Deformed Atoms in Molecules to the Hydrogen Molecule
- 1 March 1957
- journal article
- conference paper
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 26 (3) , 451-454
- https://doi.org/10.1063/1.1743325
Abstract
The method of deformed atoms in molecules, which has been proposed in the preceding paper, is applied to the hydrogen molecule. Two structures, the neutral and ionic ones, are considered. It is assumed that the best approximate functions are made up from the hydrogen-like functions, and favorable correction factors are sought so as to bring about the results appertaining to the good range. Energy drops of 1.5∼1.7 ev are then obtained, which are satisfactory results as compared with that of 0.16 ev in Moffitt's method. Discussion is given about the function of the ionic term, in which the axial correlation is taken into account.Keywords
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