## Abstract Coupled and uncoupled HartreeβFock theories are used to compute the electric dipole polarizability of water, ammonia, and methane with three different GTO basis sets. Bounds for the geometric approximation to uncoupled polarizabilities are also computed to examine the accuracy of calcul
Electric-Dipole Polarizabilities of Atoms, Molecules, and Clusters || FRONT MATTER
β Scribed by Bonin, Keith D; Kresin, Vitaly V
- Book ID
- 121383759
- Publisher
- WORLD SCIENTIFIC
- Year
- 1997
- Weight
- 428 KB
- Volume
- 10.1142/2962
- Category
- Article
- ISBN
- 9814261270
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π SIMILAR VOLUMES
## Abstract We use a previously proposed variationβperturbation method to calculate the electric polarizabilities and the electric dipole moment at equilibrium nuclear distance of the BH molecule. We obtain 3.56 Γ 10^β24^ cm^3^ for the perpendicular polarizability Ξ±~__xx__~ and 3.22 Γ 10^β24^ cm^3^
## Abstract The electric dipole moments (EDMs) and polarizabilities of small Bi~__n__~ (__n__β=β2β24, 40, 80) clusters are investigated by the finite field method within density functional theory (DFT). The results show that both dipole moments and polarizabilities have evenβodd oscillation behavio