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Electric multipole moments, polarizability, and hyperpolarizability of xenon dihydride (HXeH)

✍ Scribed by George Maroulis

Book ID
105886621
Publisher
Springer
Year
2010
Tongue
English
Weight
475 KB
Volume
129
Category
Article
ISSN
1432-2234

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πŸ“œ SIMILAR VOLUMES

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The electric quadrupole ((3) and hexadecapole (a) moment, and the quadrupole polarizability ( Cas& of chlorine were ob tained from finite-field self-consistent field and Meller-Plcsset perturbation theory calculations. The quadrupole and hexadecapolemoments arequite wellapproximated, in atomicunits,

Ab initio determination of the electric
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We report electric multipole moments and (hyper)polarizabilities for the haloethynes HCCX, X = F, Cl, Br, and I. The molecular properties have been obtained from finite-field self-consistent field, MΓΈller-Plesset perturbation theory and coupled cluster calculations with large, carefully optimized ba