Density Functional Theory Predictions of Second-Order Hyperpolarizabilities of Metallocenes
Author:
Affiliation:
1. SONY Corporation Research Center, 174 Fujitsuka-cho, Hodogaya-ku, Yokohama 240, Japan
2. DuPont Central Research and Development, Experimental Station, P.O. Box 80328, Wilmington, Delaware 19880-0328
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp952465v
Reference62 articles.
1. Semiempirical calculations of hyperpolarizabilities for donor-acceptor molecules: comparison to experiment
2. Semiempirical calculations of hyperpolarizabilities for extended ? systems: Polyenes, polyynes, and polyphenyls
3. Semiempirical calculations of the polarizability and second-order hyperpolarizability of fullerenes (C60 and C70), and model aromatic compounds
4. Local density functional calculations of the polarizability and second-order hyperpolarizability of fullerene-C60
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