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- W2074169715 abstract "The dipole (α), quadrupole (C), and dipole–octopole (E) polarizabilities, the dipole–dipole–quadrupole (B) and second dipole (γ) hyperpolarizabilities, and the quadrupole (Θ) and hexadecapole (Φ) moments are calculated for the ground state of F2 at its equilibrium bond length. These properties are obtained from fourth-order Mo/ller–Plesset perturbation theory energies of F2 in the presence of various configurations of point charges; the perturbation theory uses the self-consistent-field wave function for F2 perturbed by charges as the zeroth-order wave function. Our best vibrationless estimates for the isotropic averages are ᾱ=8.485 e2 a20 E−1h, C̄=23.588 e2 a40 E−1h, B̄=−84 e3 a40 E−2h, and γ̄=512 e4 a40 E−3h. The ᾱ value is in good agreement with experiment, whereas our vibrationally corrected estimate of Θzz ≂0.74 e a20 should be more accurate than the existing experimental estimates." @default.
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- W2074169715 date "1989-01-01" @default.
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- W2074169715 title "Polarizabilities and hyperpolarizabilities of F2" @default.
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- W2074169715 doi "https://doi.org/10.1063/1.456482" @default.
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