Quantum mechanical study of the vibrational relaxation of O_2~+ colliding with Kr

摘要

Coupled states calculations on the vibrational relaxation of O_2~+ (v = 1) colliding with Kr are reported. In the first stage, calculations have been done on single potential energy surfaces and different surfaces have been used. Then treating O_2~+ as a molecule in a #PI# ground electronic state, we have performed quantum scattering calculations on the vibrational relaxation on two 1 ~2A" and 1 ~2A' surfaces. A significant effect due to the inclusion of the second potential surface is reported. A comparison of the calculated rate constants with available experimental data is made.