Quantum mechanical differential and integral cross sections for state-to-state vibrational excitation of I2 by He

David W. Schwenke, Donald G Truhlar

Research output: Contribution to journalArticlepeer-review

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Abstract

We have performed scattering calculations for vibrationally inelastic collisions of He with I2. We employed close coupling to treat vibration, the infinite-order-sudden approximation for rotation, and a recently reported potential energy surface based on ab initio calculations. We have calculated state-to-state and rotationally summed differential and integral cross sections for three impact energies. The energy dependence of the integral cross sections agrees reasonably well with the recent experiments of Hall et al.

Original languageEnglish (US)
Pages (from-to)5586-5595
Number of pages10
JournalThe Journal of Chemical Physics
Volume81
Issue number12
DOIs
StatePublished - Jan 1 1984

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