Title of article :
Forward–backward propagation in the mixed quantum–classical theory for the collisional energy transfer
Author/Authors :
Ivanov، نويسنده , , Mikhail V. and Babikov، نويسنده , , Dmitri، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2012
Abstract :
A method of forward–backward propagation is incorporated into the mixed quantum–classical theory for calculations of the collisional energy transfer and ro-vibrational energy flow in a molecule + quencher encounter. This permits to avoid unphysical behavior of the energy transfer function in the range of large impact parameters. A case study is presented on stabilization of the metastable states of ozone in collisions with Ar bath gas.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters