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Kinetics of dipole moments of polyatomic molecules

✍ Scribed by A. Krzysztofowicz; V. I. Tomin

Book ID
110175013
Publisher
SP MAIK Nauka/Interperiodica
Year
2006
Tongue
English
Weight
223 KB
Volume
100
Category
Article
ISSN
0030-400X

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πŸ“œ SIMILAR VOLUMES

Dipole Moments of Polyatomic Molecules
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## Abstract Coupled and uncoupled Hartree–Fock 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

Calculations of electric dipole hyperpol
Calculations of electric dipole hyperpolarizability of polyatomic molecules
✍ P. Lazzeretti; R. Zanasi πŸ“‚ Article πŸ“… 1976 πŸ› Elsevier Science 🌐 English βš– 449 KB

Hartree-Fock perturbation theory is employed to compute electric dipole hyperpolarizabilities ofwater, ammo& and methane with three different CT0 basis sets. The results were extremely sensitive to the form of zero-order HT; wavefunctions. In mrne cases large discrepancies between computed and exper