One-Center Expansion of Molecular Wave Function, II : Lower Excited States of H_2

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概要

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• The method of one-center expansion of molecular wave function is applied to the calculation of electronic energies of lower excited levels, ^3Σ_g^+, ^<3, 1>Σ_u^+ and ^<3, 1>Π_u of H_2. As for the ground ^1Σ_g^+ level the present author has already reported some calculations where he stated to have obtained the best value, 3.8 e.V., as the electronic dissociation energy. Unfortunately it was later found that there were mistakes in numerical calculations. An alternative 'best' value, 3.28 e.V., will be reported in the second section of the present paper. As a whole, the results of the present calculations may be said moderately satisfiable.

• 理論物理学刊行会の論文

著者

• Huzinaga Sigeru

  Department Of Chemistry University Of Alberta Edmonton

関連論文

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