Potential Energy Curves for the X 1Σg+ and B 1Σu+ States of Hydrogen

作者：Irwin Tobias, Joseph T. Vanderslice · 发表于：The Journal of Chemical Physics · 年份：1961 · DOI：10.1063/1.1732156 · 被引用次数：35 · 研究领域：Quantum, superfluid, helium dynamics、Advanced Chemical Physics Studies、Cold Atom Physics and Bose-Einstein Condensates

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.