Calculation of the Polarisability and Second Hyperpolarisability of Ferrocene, Fe(C5H5)2, Using the Extended CHF-PT-EB-CNDO Method
Open Access
- 1 July 1987
- journal article
- Published by Walter de Gruyter GmbH in Zeitschrift für Naturforschung A
- Vol. 42 (7) , 749-752
- https://doi.org/10.1515/zna-1987-0715
Abstract
The polarisability and second hyperpolarisability of ferrocene have been calculated using the CHF -PT -EB -CNDO method, which has been extended for the study of compounds containing transition metal elements. The computed polarisability value is in good agreement with experiment.Keywords
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