Calculations of vibrational energy transfer using semi-classicals matrix theory

✍ Scribed by Steven C. Cohen; Millard H. Alexander

• Publisher: Elsevier Science
• Year: 1974
• Tongue: English
• Weight: 464 KB
• Volume: 26
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(74)85409-6

✦ Synopsis

an extension of Miller's semi-classical S matrix theory to c;llcutnte resonant nnd non-rewrunt vibrationJ enegy iransfer probabilities. The collisions under study are collinear Dz-Dz interactions at energies below and above the classical dynamic transition threshold and collinear Hz --Dz interactions above the dynamic threshold. Below threshold we employ an initial angle representation. We find that the computed probabilities are in substantial agreement with exact quantum mechanical computations and represent a major improvement over quasi-classical results. At energies above threshold we apply the first order and the classical semi-classical versions of the theory. The results indicate fair agreement with quantum mechanical calculations, but no significant improvement over qua&classic~ results.