Semiempirical calculations of the polarizability and second-order hyperpolarizability of C{sub 60}, C{sub 70}, and model aromatic compounds
Journal Article
·
· Journal of Physical Chemistry
- E.I. Du Pont de Nemours and Co., Inc., Wilmington, DE (United States)
The authors present the results of molecular orbital calculations of the polarizability and second-order hyperpolarizability of several aromatic hydrocarbons and C{sub 60} and C{sub 70}. For the hydrocarbons, the authors look at the question of what types of additions to the ring structure have the largest effects on polarizability. The authors are interested in the ability to predict the microscopic properties of molecules which will affect their non-linear optical properties.
- Sponsoring Organization:
- USDOE
- OSTI ID:
- 555309
- Journal Information:
- Journal of Physical Chemistry, Journal Name: Journal of Physical Chemistry Journal Issue: 15 Vol. 96; ISSN JPCHAX; ISSN 0022-3654
- Country of Publication:
- United States
- Language:
- English
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