The Journal of Chemical Physics · 1968 · 54 citations · 9 references
Natural SciencesChemistryPhysicsPhysical ChemistrySpectroscopyTheoretical ChemistryAb Initio MethodsAbsorption SpectroscopyAtomic CollisionsInteratomic PotentialsScattering TheorySpectroscopy SimulationAb Initio CalculationsAb Initio SimulationsAbsorption SpectrumAbsorption Spectrum CalculationAtom-atom CollisionsAtom-molecule CollisionsClassical TheoryCollision-induced Absorption
Computations (exact within the classical framework) are presented of the translational absorption spectrum for a model system of dissimilar rare-gas atoms chosen to simulate the He–Ar pair. The treatment makes use of the classical theory of Levine and Birnbaum. However, the procedure takes proper account of the nonlinear collision trajectories (evaluated on the basis of a realistic interaction potential derived from beam scattering experiments) and the theoretical form of the dipole-moment function (i.e., the ab initio computations of Matcha and Nesbet). The calculations reproduce the experimental (Bosomworth and Gush) line shape for He–Ar fairly well, provided the “dipole range parameter” is altered by some 7% from its ab initio value.
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THEORY OF TRANSLATIONAL ABSORPTION IN GASES
J. D. Poll, J. Van Kranendonk · Canadian Journal of Physics · 1961 · 173 citations
Natural Sciences, Chemistry, Physics +14
Electric Dipole Moments of Rare-Gas Diatomic Molecules
Robert L. Matcha, R. K. Nesbet · Physical Review · 1967 · 108 citations