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ELECTRON CORRELATION EFFECTS AND DIPOLAR/OCTUPOLAR CONTRIBUTION ON THE FIRST HYPERPOLARIZABILITY OF PUSH-PULL OLIGOMER SYSTEMS.

The hyper-Rayleigh scattering first hyperpolarizabilities β of a series of push-pull oligomer are studied using theoretical chemistry methods. Several DFT XC functionals have been used while reliable atomic basis sets have been selected for their evaluations. The behavior of hyper-Rayleigh scatterin...

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Published in:Revista Cubana de Física Vol. 38; no. 2; pp. 94 - 103
Main Author: LABIDI, N. S.
Format: Article
Published: Universidad de La Habana dic2021
Subjects:
Electron configuration
Density functional theory
Rayleigh scattering
Oligomerization
Chemometrics
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