Strong Electron Correlation Effects on First- and Second-Order Hyperpolarizabilities in Zwitterionic σ-Conjugated Systems: Its Dependence on Substituents, Conformations, Spacer Size, and Basis Sets
Author:
Affiliation:
1. Department of Material Sciences, Faculty of Engineering Sciences, Kyushu University, 6-1 Kasuga-Park, Fukuoka 816-8580, Japan, and Japan Science and Technology Agency, CREST, 4-1-8 Hon-chou, Kawaguchi, Saitama 332-0012, Japan
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp0725376
Reference58 articles.
1. Ab initio calculations of polarizabilities and second hyperpolarizabilities in organic molecules with extended .pi.-electron conjugation
2. Measurements and calculations of the hyperpolarizabilities of atoms and small molecules in the gas phase
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