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• W2014673868 abstract "A CI program is described for the evaluation of two-photon electronic transitions, based on time dependent second order perturbation theory. The expression of the transition amplitudes is obtained by directly solving first order perturbation equations over the CI components, avoiding the second order expression with summation over the full set of the intermediate CI eigenstates. The procedure has been implemented as part of a general CI program for ab initio computations of these properties. To test the program, the relative intensities of the ‘‘hot’’ vibronic components of the A1g→B2u transition of the benzene molecule have been evaluated on a minicomputer and compared to the experiment." @default.
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• W2014673868 date "1986-08-15" @default.
• W2014673868 modified "2023-09-27" @default.
• W2014673868 title "A configuration interaction (CI) procedure for the evaluation of two-photon electronic transition probabilities. Program implementation with application to the <i>A</i>1<i>g</i>→<i>B</i>2<i>u</i> transition of benzene" @default.
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• W2014673868 doi "https://doi.org/10.1063/1.451155" @default.
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