The density matrix of H2O–N2 in the coordinate representation: A Monte Carlo calculation of the far-wing line shape

The far-wing line shape theory within the binary collision and quasistatic framework has been developed using the coordinate representation. Within this formalism, the main computational task is the evaluation of multidimensional integrals whose variables are the orientational angles needed to specify the initial and final positions of the system during transition processes. Using standard methods, one is able to evaluate the seven-dimensional integrations required for linear molecular systems, or the seven-dimensional integrations for more complicated asymmetric-top (or symmetric-top) molecular systems whose interaction potential contains cyclic coordinates. In order to obviate this latter restriction on the form of the interaction potential, a Monte Carlo method is used to evaluate the nine-dimensional integrations required for systems consisting of one asymmetric-top (or symmetric-top) and one linear molecule, such as H2O–N2. Combined with techniques developed previously to deal with sophisticated pote...