Perturbational calculation of the exchange forces in the two lowest states of the hydrogen molecule |
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Authors: | Lucjan Piela |
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Abstract: | The interaction energies in the ground (X1Σ) and the first excited (b3Σ)states of the hydrogen molecule were calculated using the modified Jansen and Byers Brown perturbation method. Calculations were performed for nine values of the internuclear distance R in the range 5 a.u. ≦ R ≦ 9 a.u. The present results were compared with the interaction energies calculated by four other perturbation methods as the expectation values of the H – E0 operator with the function accurate up to the first order. The results show that the method can give satisfactory values of the interaction energies. |
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