Time-dependent quantum dynamics of NO(X) + Ar: Rotational excitation pathways and comparison with mixed quantum/classical theory.
We present time-dependent quantum wavepacket simulations of inelastic NO(X) + Ar collisions using the Multi-Configurational Time-Dependent Hartree (MCTDH) method. The computed state-to-state cross sections and opacity functions agree well with time-independent close-coupled calculations. The time-dependent populations...