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Dynamical Screening by Σ-Electrons in π-Electron Transitions: Treatment in the Equations-of-Motion Method

Shibuya, Tai-ichi and I'haya, Yasumasa J. and McKoy, Vincent (1975) Dynamical Screening by Σ-Electrons in π-Electron Transitions: Treatment in the Equations-of-Motion Method. International Journal of Quantum Chemistry, 9 (3). pp. 505-516. ISSN 0020-7608. http://resolver.caltech.edu/CaltechAUTHORS:20151119-065312822

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Abstract

Dynamical screening in π-electron systems is studied by the equations of motion method. By using a partitioning technique on the equations of motion we can obtain simple expressions for the effect of dynamical screening directly on the transition energies and transition moments in π-electron systems. These results are used to study the effect of such screening in the N → V transition in ethylene. This procedure can be used to extend the equations-of-motion method to larger π-electron systems.


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http://dx.doi.org/10.1002/qua.560090313DOIArticle
http://onlinelibrary.wiley.com/doi/10.1002/qua.560090313/abstractPublisherArticle
Additional Information:© 1975 John Wiley & Sons, Inc. Received April 2, 1974. Revised June 30, 1974. One of the authors (T. S.) thanks his parents and elder brother for financial support and his wife for encouragement during his period of unemployment after his return from the U.S.A. to Japan where this work was completed.
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Caltech Arthur Amos Noyes Laboratory of Chemical Physics4865
Record Number:CaltechAUTHORS:20151119-065312822
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:20151119-065312822
Official Citation:Shibuya, T.-I., I'haya, Y. J. and McKoy, V. (1975), Dynamical screening by Σ-electrons in π-electron transitions: Treatment in the equations-of-motion method. Int. J. Quantum Chem., 9: 505–516. doi: 10.1002/qua.560090313
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ID Code:62214
Collection:CaltechAUTHORS
Deposited By: Ruth Sustaita
Deposited On:19 Nov 2015 20:35
Last Modified:19 Nov 2015 20:35

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