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Application of a higher RPA to a model pi-electron system

Shibuya, Tai-ichi and McKoy, Vincent (1970) Application of a higher RPA to a model pi-electron system. Journal of Chemical Physics, 53 (8). pp. 3308-3314. ISSN 0021-9606. http://resolver.caltech.edu/CaltechAUTHORS:SHIjcp70

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Abstract

We have applied a proposed higher-order random phase approximation (RPA) to the simple model system of two pi electrons in the double bond of ethylene. The higher-order RPA removes some difficulties involved in the usual RPA, but retains the form of the RPA equations. To derive the higher RPA we retain all terms linear in the ground state correlation coefficients in the equations of motion for the excitation energy and in the equation determining the ground state. These equations are solved self-consistently and are simpler to handle than a configuration interaction solution in a realistic example. We do not use the quasiboson approximation.


Item Type:Article
Additional Information:Copyright © 1970 American Institute of Physics. Received 11 May 1970.
Record Number:CaltechAUTHORS:SHIjcp70
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:SHIjcp70
Alternative URL:http://dx.doi.org/10.1063/1.1674482
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:3088
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:15 May 2006
Last Modified:26 Dec 2012 08:52

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