Vibrational matrix elements of the quadrupole moment functions of H2, N2 and CO

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Abstract

The quadrupole moment functions (molecular quadrupole moment versus internuclear distance) have been determined by quantum mechanical calculations for H2 (by Kolos and Wolniewicz), N2 (by Wahl and Nesbet), and CO (by Nesbet). These functions are used with numerical vibrational wave functions to compute matrix elements which are useful for calculations of scattering cross sections, energy transfer rates and excitation probabilities, and infrared intensities of forbidden bands.

Original languageEnglish (US)
Pages (from-to)975-988
Number of pages14
JournalInternational Journal of Quantum Chemistry
Volume6
Issue number5
DOIs
StatePublished - Sep 1972

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