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• W2020147439 abstract "The semiclassical initial value representation (SC-IVR) is emerging as a practical way of generalizing classical trajectory simulation methods to include (approximately) the effects of quantum mechanics (i.e., interference and tunneling). This paper describes the application of the SC-IVR approach to determine the low lying vibrational states of the HCl dimer on a realistic potential energy surface. Overall agreement of the semiclassical energy levels with accurate quantum values is very good, including a good description of the tunneling splitting in the ground state. Issues regarding the applications of the SC-IVR methodology to the angular variables related to rotational degrees of freedom are explicitly discussed." @default.
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• W2020147439 date "1998-06-01" @default.
• W2020147439 modified "2023-09-25" @default.
• W2020147439 title "Semiclassical initial value representation for rotational degrees of freedom: The tunneling dynamics of HCl dimer" @default.
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• W2020147439 doi "https://doi.org/10.1063/1.476333" @default.
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