Deep inelastic neutron scattering from diatomic molecules

A quantum mechanical approach to the description of neutron scattering at very high momentum transfer from homonuclear and heteronuclear diatomic molecules in a wide range of temperatures is proposed. The response function is computed by means of translational (intermolecular) and vibrational (intramolecular) momentum distributions, the latter being determined by the rotovibrational state of the molecule. Specific calculations for parahydrogen at 17 and 110 K, normal hydrogen at 110 K, liquid nitrogen at 77 K and HD at 110 K are reported, showing a sensible effect of the rotationally excited population.