Knowledge Bank

A delta function model previously used to derive the form of an internuclear potential function and the bond properties of the $H2+$ and $H2$ molecules has been extended to the linear symmetric and triangular symmetric $Ha+$ and $Ha$ systems respectively. A characteristic of the model is that the energy of a molecule can be obtained as a sum of one electron energies. Thus {E}=\frac{1}{2}\sum^{n}{{n}=1}\qquad {c}^{2}{n} where n represents the number of electrons and c is given by {c}={Ag}(1+{Bc}^{-{Dac}}) Here B and D are determined from the secular equations and A from the separated atom energies. The delta function spacing is represented by a. The calculated binding energies and internuclear distances will be reported. The calculated binding energy of the linear symmetric $Ha$ molecule refered to the energy of separated atoms is 99.7 kcal/mole. The experimental value from the orther para hydrogen reaction is 99-104 keal/mole.