The static dipole polarizability, first and second hyperpolarizability tensors of molecules with nonlinear optical characteristics are calculated via ab initio coupled-perturbed Hartree-Fock theory. A study of the effect of basis set augmentation on the calculated properties for the nitrobenzene mol
An approximate ab initio study of the polarizability and hyperpolarizabilities of organic molecules
โ Scribed by G.P. Das; D.S. Dudis
- Publisher
- Elsevier Science
- Year
- 1991
- Tongue
- English
- Weight
- 596 KB
- Volume
- 185
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
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