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Use of vibrationally adiabatic basis functions for inelastic atom-molecule scattering

✍ Scribed by Nancy Mullaney Harvey; Donald G. Truhlar

Publisher
Elsevier Science
Year
1980
Tongue
English
Weight
355 KB
Volume
74
Category
Article
ISSN
0009-2614

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✦ Synopsis

Recelrcd 30 h ΒΆay 1980 Convergence rates are ccmpared for adlabatlc basis sets and convenuonal free-molecule basis sets for the e'rpanslon of the scattermg wavcfunchon III the quanta1 treatment of a colhnear model of vlbratlonally inelastIc He-Hz scattering. VibratIonally adlabahc basis sets lead to faster convergence (and mcreased accuracy) than basis sets of asymptotic target elgenfunctlons * Work submitted III parhal fulfilment of tic requuements for the F%.D. m Chemical Physics at the Umversny of Mmnesota, Apnl. 1979. Present address The Aerospace Corporation,

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Rovibrational inelastic scattering using
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✍ Georges Jolicard; Jeanine Bonamy πŸ“‚ Article πŸ“… 1984 πŸ› Elsevier Science 🌐 English βš– 293 KB

The esponentisl perturbed stationary state approximation is tested for rovibrationsl inelastic sc;itreriny. It appears 11s 3 tiirly good approach in the low-energy range and would be promisil \_ :z in 11x whole energy scnlc bv rueam cafmiuor improvcmerits.