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• W2016110306 startingPage "4772" @default.
• W2016110306 abstract "We report an extensive investigation of the interaction hyperpolarizability of a number of model systems: the hydrogen molecule dimer, the interaction of hydrogen fluoride with a neon atom, and the rare gas diatoms He2, Ne2, Ar2, and Kr2. Our approach relies on finite-field many-body perturbation theory and coupled cluster calculations. The exploration of the various aspects of interaction hyperpolarizability calculations has brought forth the necessity for well-defined computational strategies that can lead to reliable theoretical predictions for such quantities." @default.
• W2016110306 created "2016-06-24" @default.
• W2016110306 creator A5076584684 @default.
• W2016110306 date "2000-04-26" @default.
• W2016110306 modified "2023-09-24" @default.
• W2016110306 title "Computational Aspects of Interaction Hyperpolarizability Calculations. A Study on H₂···H₂, Ne···HF, Ne···FH, He···He, Ne···Ne, Ar···Ar, and Kr···Kr" @default.
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• W2016110306 doi "https://doi.org/10.1021/jp9941615" @default.
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