j3Δg state of the hydrogen molecule |
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Authors: | Jacek Rychlewski |
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Institution: | Department of Chemistry, University of North Carolina, Chapel Hill, North Carolina 27514 USA |
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Abstract: | The potential energy curve for the j3Δg state of the hydrogen molecule has been calculated in the Born-Oppenheimer approximation. Highly flexible wavefunctions depending explicitly on the interelectronic distance have been used. The vibrational Schrödinger equation for the j state has been solved for H2, HD, and D2. The results are compared with the available experimental data, and it is shown that the adiabatic and nonadiabatic effects are mainly responsible for the existing discrepancy. The singlet-triplet separation for the j-J pair of states is also discussed. |
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