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Vibrational matrix elements of the quadrupole moment functions of H 2 , N 2 and CO
Author(s) -
Truhlar Donald G.
Publication year - 1972
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560060515
Subject(s) - quadrupole , atomic physics , excitation , wave function , moment (physics) , chemistry , scattering , matrix (chemical analysis) , infrared , physics , quantum mechanics , chromatography
Abstract The quadrupole moment functions (molecular quadrupole moment versus internuclear distance) have been determined by quantum mechanical calculations for H 2 (by Kolos and Wolniewicz), N 2 (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.