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Abstract The stabilization method is used in conjunction with the equation-of-motion electron-attachment coupled-cluster method to calculate the complex energies of the 2 P temporary anion states of Be and Mg… Click to show full abstract
Abstract The stabilization method is used in conjunction with the equation-of-motion electron-attachment coupled-cluster method to calculate the complex energies of the 2 P temporary anion states of Be and Mg as well as of the 2 D temporary anions states of Mg and Ca. The calculated resonance parameters for the 2 P state of Mg − and 2 D state of Ca − agree well with experiment. Experimental results are not available for the 2 P anion of Be, but we note that our calculated resonance parameters of 2 P Be − , while in good agreement with the CI results of McNutt and McCurdy (1983), differ significantly from the results of two other recent theoretical studies.
Journal Title: Chemical Physics
Year Published: 2017
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