Potential Energy Curves for the X 1Σg+ and B 1Σu+ States of Hydrogen
- 1 November 1961
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 35 (5) , 1852-1855
- https://doi.org/10.1063/1.1732156
Abstract
The recently reported accurate data of Herzberg and Howe have been used to calculate the potential energy curves for the X 1Σg+ and B 1Σu+ states of hydrogen by the Rydberg‐Klein‐Rees (RKR) method. The results are compared with the results of the quantum calculations of Kolos and Roothaan and Dalgarno and Lynn. The agreement is good; in fact, the interaction energy obtained by Dalgarno and Lynn for the ground state agrees with the RKR values to within 2% in the region where the two curves overlap. The rotational predissociation observed in the ν″=14 level of the X 1Σg+ state is discussed. It appears as if there may exist here an unusual case of a sharp spectral line associated with a state which is very close in energy to the maximum of a potential barrier.Keywords
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