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• W1986947921 abstract "Potential energy curves have been calculated for the ground and excited electronic states of KrH and the cation KrH+ by ab initio configuration interaction calculations using effective core potentials for Kr. Quantum defect functions have been determined from the ab initio potentials of the low-lying Rydberg states of KrH and potential energy curves have been generated for higher n (s,p,d) Rydberg states. The resulting bound–bound transition energies are in excellent agreement with experimental data. The interaction of the 5p B 2Π state with the 5s and 5p A 2Σ and C 2Σ+ states and their predissociation by X 2Σ+ has been treated by multistate complex scaling calculations for both KrH and KrD. Much larger predissociation widths are obtained in KrH than in KrD, in agreement with experimental observations." @default.
• W1986947921 created "2016-06-24" @default.
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• W1986947921 date "2003-07-11" @default.
• W1986947921 modified "2023-09-25" @default.
• W1986947921 title "Theoretical <i>ab initio</i> study of the electronic states of KrH and KrH+: Quantum defect and complex coordinate calculations on the Rydberg states of KrH" @default.
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• W1986947921 doi "https://doi.org/10.1063/1.1582837" @default.
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