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• W104499648 abstract "We present the results of large-scale quantum mechanical calculations of state-to-state transition probabilities for the collision of two hydrogen fluoride molecules. We use a potential energy surface obtained by adding a vibrational dependence to the interaction potential of Alexander and DePristo, and we consider zero total angular momentum. We have calculated converged transition probabilities for rotational energy transfer in the rigid rotator approximation and for vibration-to-vibration energy transfer in calculations including full vibration-rotation coupling. The V-V calculations include up to 948 coupled channels. Final production runs were carried out with a highly vectorized code on the University of Minnesota Cyber 205 and Cray-1 computers; earlier test runs were carried out as well on a Cray Research X-MP/48 machine." @default.
• W104499648 created "2016-06-24" @default.
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• W104499648 date "1986-01-01" @default.
• W104499648 modified "2023-09-23" @default.
• W104499648 title "Converged Calculations of Rotational Excitation and V-V Energy Transfer in the Collision of two Molecules" @default.
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• W104499648 doi "https://doi.org/10.1007/978-3-642-51060-1_7" @default.
• W104499648 hasPublicationYear "1986" @default.
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