ℒ2 amplitude density method for multichannel inelastic and rearrangement collisions

• DOI: 10.1063/1.454029
• Publication Date: 2002-07-26T13:20:05Z
• Authors: John Z. H. Zhang; Donald J. Kouri; Kenneth Haug; David W. Schwenke; Yaakov Shima; Donald G. Truhlar
• Keywords: Basis (linear algebra); Distortion (music)

A new method for quantum mechanical calculations of cross sections molecular energy transfer and chemical reactions is presented, it applied to inelastic reactive collisions I, H, D with H2. The involves the expansion in a square-integrable basis set amplitude density due difference between true interaction potential distortion solution large coupled equations function coefficients. transition probabilities, which correspond integrals over density, are related straightforwardly these