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The numerical determination of dipole hyperpolarizabilities

✍ Scribed by Stewart, Ronald F.

Book ID
126544234
Publisher
Taylor and Francis Group
Year
1974
Tongue
English
Weight
308 KB
Volume
27
Category
Article
ISSN
0026-8976

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πŸ“œ SIMILAR VOLUMES

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