Ab initiocalculation of the line strengths in the electric dipole vibration-rotation spectrum of the HD molecule
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The perturbation theory expression for the HD molecule vibration-rotation dipole-transition probabilities is cast into the form of an instantaneous dipole-moment function D(R). Two large components of D(R) can be obtained from accurately known ground-electronic-state expectation values, whereas the rest is computed by a sum-over-states procedure similar to the one we used previously for the dynamic polarizability of H2. From this D(R) we compute dipole-transition matrix elements for the 0-0 through 6-0 vibrational bands, for all P and R branch lines with Ji≤3. Our results agree well with the recent calculations of Wolniewicz [Can. J. Phys. 53, 1207 (1975); 54, 672 (1976)]. They also agree well with experiment for the 1-0 through 5-0 bands, but, like the results of Wolniewicz, are a factor of approximately 2 larger than the 0-0 band results of M. Trefler and H. P. Gush [Phys. Rev. Lett. 20, 703 (1968)]. © 1977 The American Physical Society.
author list (cited authors)
Ford, A. L., & Browne, J. C.