Dimensional matrix, vibration-rotation

We have recently studied rotational and vibrational inelastic scattering between two H2 molecules using the damped Chebyshev propagation with a full-dimensional Hamiltonian.[63-65] The corresponding S-matrix elements were obtained as Fourier... 

Instead of the matrices La and Lb that correspond to the normal modes of vibration Qa and Qb of the monomers, we use the matrices La and Lb that correspond to the Eckart coordinates for the center of mass translations and the overall rotations of the monomers. This yields a 12 dimensional force constant matrix with blocks... 

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