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- W1517827760 abstract "Quadrupole moments obtained by a variety of experiments exhibit a wide range of values even for molecules such as CO and N2. Previous theoretical values were obtained with Hartree-Fock single-configuration wavefunctions. This study reports quadrupole moments obtained with multiconfiguration self-consistent-field wavefunctions chosen by the optimized valence configuration approach of Wahl and Das. The theoretical MC-SCF quadrupole moments are compared with both the experimental and Hartree-Fock values. Vibrationally averaged values of the quadrupole moments were obtained for CO and NO+. The results for the ν=0, J=0 vibrational level are −2.23 and 0.56×10−26 esu cm2, respectively." @default.
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- W1517827760 date "1974-04-01" @default.
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- W1517827760 title "Quadrupole moment of CO, N2, and NO+" @default.
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- W1517827760 doi "https://doi.org/10.1063/1.1681441" @default.
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