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Semiclassical time‐correlation function approach to collisional energy transfer into many‐atom systems
Author(s) -
Micha David A.
Publication year - 1983
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560230225
Subject(s) - semiclassical physics , decoupling (probability) , polyatomic ion , internal energy , physics , correlation function (quantum field theory) , atom (system on chip) , energy transfer , classical mechanics , statistical physics , quantum mechanics , atomic physics , molecule , quantum , control engineering , computer science , dielectric , engineering , embedded system
Cross sections for energy transfer into many‐body systems can be expressed in terms of time‐correlation functions ( TCFS ) of transition operators. A semiclassical version is presented by treating internal motions as quantized and relative motions as classical. The time evolution of internal motions can be calculated in the Heisenberg picture and avoids expansions in target states. The decoupling of fast and slow internal motions is treated and applied to vibrational–rotational decoupling in polyatomic molecules. Results are presented for Li + ‐CO 2 collisions.