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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 49, 1983 - Issue 3
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Original Articles

A potential energy surface for the ground state of CH2

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Pages 681-694 | Received 07 Dec 1982, Accepted 31 Jan 1982, Published online: 23 Aug 2006
 

Abstract

An analytical representation of the ground state (3 B 1) potential energy surface of CH2 is reported. All the asymptotic regions of the surface are described and the surface also has conical intersections along linear dissociations to CH + H. The surface, represented by the eigenvalue of a 2 × 2 matrix, has been obtained by the least squares fit of 226 ab initio data points, calculated by the CASSCF method, together with some spectroscopic data.

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