Rovibrationally-resolved photodissociation of HD
Niculas, Claudia Elvira
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The photodissociation of most molecules is typically obtained through pre-computed, exponentially-attenuated fitted photo rates, whose assumptions are likely to describe few astronomical environments. Furthermore, calculations of cross sections for the photodissociation of the isotopomer of molecular hydrogen, HD, are currently available only for the J = 0 levels of the ground electronic state. Explicit calculations of cross sections from all rovibrational states are necessary in order to compute HD photo-destruction rates for any environment and radiation field. To this end, we have directly calculated the partial cross sections for the Lyman and Werner transitions of HD from all 400 rovibrational levels of the ground electronic state into the continua of the upper electronic states. This required input of potential curves and dipole transition moments derived by standard ab initio techniques. The partial cross sections were calculated for a number of wavelengths ranging from 100 Å to the dissociation threshold from each rovibrational state.