Polyatomic molecules vibrational energy flow

Weitz E and Flynn G W 1981 Vibrational energy flow in the ground electronic states of polyatomic molecules Adv. Chem. Rhys. 47 185-235... 

Direct Observation of Nonchaotic Multilevel Vibrational Energy Flow in Isolated Polyatomic Molecules, P. M. Felker and A. H. Zewail, Phys. Rev. Lett. 53, 501 (1984). 

VIBRATIONAL ENERGY FLOW IN THE GROUND ELECTRONIC STATES OF POLYATOMIC MOLECULES... 

Vibrational Energy Flow in the Ground Electronic States of Polyatomic Molecules... 

As discussed in Section II, the excited-state dynamics of polyatomic molecules is dictated by the coupled flow of both charge and energy within the molecule. As such, a probe technique that is sensitive to both nuclear (vibrational) and electronic configuration is required in order to elucidate the mechanisms of such processes. Photoelectron spectroscopy provides such a technique,... 

Flynn G W1981 Collision induced energy flow between vibrational modes of small polyatomic molecules Accounts Chem. Res. 14 334-41... 

For calculating the nonequilibrium flow of polyatomic gases, the DSMC method is currently the most widely used technique. In the DSMC approach, one usually employs some empirical models [4], which very much resemble a -BGK-type relaxation model with a constant relaxation time. There are only a few attempts due to Koura [5] and Erofeev [6], for example, which employ the so-called trajectory calculations, where a realistic modeling of inelastic collisions with translational-rotational (T-R) transfer of energy is made. These computations require enormous CPU time. For vibrational excitations, no trajectory calculations with the DSMC method have been attempted to date. The physical reality is such that the vibrational term becomes important at much higher temperature than the rotational term. For the N2 molecule the quanta of vibrational temperature is 3,340 K and the quanta of rotational temperature is 2.89 K the corresponding quanta for the O2 molecule are 2,230 and 2.1 K, respectively. 

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