A theoretical study of the fundamental absorption band of solid HD
A theoretical study of absorption into the fundamental band of solid HD in the neighbourhood of the R1(0) transition is presented. The spectrum, calculated by using a one-phonon approximation, shows qualitative agreement with the experimental absorption curve in the region lying between the Q1(0) and R1(0) transition energies. In particular, we are able to show that the absorption at an energy immediately below that of the R1(0) peak should almost vanish, as observed in the experiment. The role of various dipoles as well as their interference effects is discussed. Such effects are found to be significant near the R1(0) transition peak. The influence of the double-excitation states, in which the rotational and the vibrational excitations reside on two different molecules, is considered. There is no direct absorption into such states, implying the lack of a Q1(0) + R0(0) peak in the spectrum. However, because these states are close in energy to those in which the vibrational and the rotational excitations reside on the same molecule, they somewhat modify the absorption spectrum in the region of the R1(0) peak. Away from this peak, the effect of the double-excitation states on the absorption profile is negligible.