QUANTUM-MECHANICS OF ELECTRONIC-ROTATIONAL ENERGY-TRANSFER IN F(2P)+H2 COLLISIONS

Theoretical study is made of electronic-rotational energy transfer in F(2P)+H2 three-dimensional collisions, with electronic matrix elements from DIM theory. The quantum close-coupled equations are integrated via the R-matrix propagation method. Inelastic quenching probabilities are emphasized, with and without simulated open reaction channels. Interweaving patterns in the transition probability for even and odd nuclear parity vs J (total angular momentum quantum number) are analyzed in terms of avoided crossing structure in the electrotational energy correlation diagrams. Localized regions where electronic quenching is dominant are identified in the correlation diagrams, and are confirmed in separate calculations which neglect interchannel mixing in local regions of the atom-molecule separation. Open reaction channels are found to have little influence on the quenching probabilities in these low energy (Etr < 0.15 eV) calculations. © 1979 American Institute of Physics.