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Journal of Chemical Physics, Vol.103, No.7, 2377-2383, 1995
Irreducible Dipole Components of 3 Interacting H-2-Molecules and the Triple Q(1) Transition Near 12466 cm(-1)
We have previously obtained parameter-free models of the overlap-induced, irreducible, ternary dipole components of three interacting H-2 molecules, which were successful in reproducing existing measurements of the ternary collision-induced absorption in the H-2 fundamental band [Phys. Rev. A 49, 4508 (1994)]. Here, we use these models to calculate the intensity of the triple Q(1) transition, which has been recently observed in compressed hydrogen gas in absorption near 12 466 cm(-1). Simultaneous transitions in three interacting H-2 molecules are thought to arise from irreducible, ternary dipole components. We calculate an intensity of the triple Q(1) transition in reasonable agreement with the measurement, within a factor of two or three for the three temperatures for which measurements exist. This fact demonstrates once more that the so-called antiparallel dipoles-induced dipole model, which is based on Jansen’s one-effective electron approximation, is capable of describing ternary spectroscopic interactions in semi-quantitative detail. Other ternary, irreducible dipole components are shown to be less significant.