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A recently proposed [J. Chem. Phys. 111 (1999) 2401] new semi-classical decoupling procedure for rotational projection states in ro-vibrationally inelastic atom-diatom and diatom-diatom collisions is extended and applied to inelastic collisions in molecular hydrogen. The role of initial rotational excitation of both collision partners in the ro-vibrational transitions, attached to the vibrational...
It is shown that finite difference energies for the Schrodinger equation can be markedly improved by forming a linear combination of the computed energy and the expectation value of an operator derivable from the virial theorem. One- and two-dimensional test calculations are reported.
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