Ab initio longitudinal polarizabilities and hyperpolarizabilities of polydiacetylene and polybutatriene oligomers
β Scribed by Bernard Kirtman; Muhammad Hasan
- Book ID
- 107734512
- Publisher
- Elsevier Science
- Year
- 1989
- Tongue
- English
- Weight
- 518 KB
- Volume
- 157
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
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
The electrostatic potential is usually evaluated by putting a test charge at several points on an appropriate molecular surface. The polarization effect is an indispensable long-range interaction as well as the electrostatic interaction. To evaluate the polarization effect, it is necessary to relax