Multireference coupled cluster calculations on CH2+

Ghose, Keya Basu ; Pal, Sourav (1992) Multireference coupled cluster calculations on CH2+ Journal of Chemical Physics, 97 (5). pp. 3863-3864. ISSN 0021-9606

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Official URL: http://link.aip.org/link/JCPSA6/v97/i5/p3863/s1

Related URL: http://dx.doi.org/10.1063/1.462919

Abstract

In this paper we examine the potential energy surface of CH2+ to reinvestigate the controversy surrounding the stability of this dication using the Fock space version of multireference coupled cluster theory.

Item Type:Article
Source:Copyright of this article belongs to American Institute of Physics.
ID Code:25915
Deposited On:04 Dec 2010 11:01
Last Modified:05 Mar 2011 06:32

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