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- W2023681423 abstract "The potential energy, quadrupole moments and dipole polarisabilities have been calculated at the full valence space CASSCF level using a [8s6p3d] basis for the ground X2Πg state of O2+ as a function of internuclear distance. Vibrationally averaged values are also calculated for the quadrupole moments and spherical and anisotropic polarisabilities for ν = 0−3. The results are compared with calculations and experimental values for N2+, NO+ and CO+." @default.
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- W2023681423 date "1996-10-01" @default.
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- W2023681423 title "Ab initio calculation of the electrical properties of the X2Πg ground state of O2+" @default.
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- W2023681423 doi "https://doi.org/10.1016/0009-2614(96)00932-3" @default.
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