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• W2054296768 abstract "The vibrational relaxation of ions in low-density gases under the action of an electrostatic field is reproduced through a molecular dynamics simulation method. The vibration is treated though quantum mechanics and the remaining degrees of freedom are considered classical. The procedure is tested through comparison against analytic results for a two-dimensional quantum model and by studying energy exchange during binary ion-atom collisions. Finally, the method has been applied successfully to the calculation of the mobility and the vibrational relaxation rate of O2+ in Kr as a function of the mean collision energy using a model interaction potential that reproduces the potential minimum of a previously known ab initio potential surface. The calculation of the steady mean vibrational motion of the ions in (flow) drift tubes seems straightforward, though at the expense of large amounts of computer time." @default.
• W2054296768 created "2016-06-24" @default.
• W2054296768 creator A5014686820 @default.
• W2054296768 date "2006-12-28" @default.
• W2054296768 modified "2023-10-17" @default.
• W2054296768 title "Mixed quantum-classical molecular dynamics simulation of vibrational relaxation of ions in an electrostatic field" @default.
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• W2054296768 doi "https://doi.org/10.1063/1.2424457" @default.
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