It is shown in this paper that from the study of the induced infrared absorption spectra of homonuclear diatomic molecules solvated as impurities in a molecular quantum solid, it is possible to extract information about the rovibrational matrix elements of the multipole moments and polarizability of the embedded molecule. Theoretical expressions are derived for the integrated absorption coeffic...

A model has been developed to calculate the ground state rotational populations of homonuclear diatomic molecules in kinetic gases, including the effects of electron-impact excitation, wall collisions, and gas feed rate. The equations are exact within the accuracy of the cross sections used and of the assumed equilibrating effect of wall collisions. It is found that the inflow of feed gas and e...

In this paper we report a methodology for calculating the inelastic neutron scattering spectrum of homonuclear diatomic molecules confined within nano-cavities of spherical symmetry. The method is based on the expansion of the confining potential into multipoles of the coupled rotational and translational angular variables. The Hamiltonian and the INS transition probabilities are evaluated anal...

A main purpose of this Letter is to show how to employ the inverse Born–Oppenheimer approximation as a basis set to study zero kinetic energy (ZEKE) spectroscopy and the autoionization dynamics of the ZEKE states. The calculations of channel couplings, quantum defects, intensity borrowing, vibrational and rotational autotionizations will be demonstrated by using a homonuclear diatomic molecule ...