TY - JOUR
T1 - Vibrational matrix elements of the quadrupole moment functions of H2, N2 and CO
AU - Truhlar, Donald G.
PY - 1972/9
Y1 - 1972/9
N2 - 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.
AB - 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.
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U2 - 10.1002/qua.560060515
DO - 10.1002/qua.560060515
M3 - Article
AN - SCOPUS:84987159697
SN - 0020-7608
VL - 6
SP - 975
EP - 988
JO - International Journal of Quantum Chemistry
JF - International Journal of Quantum Chemistry
IS - 5
ER -