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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 56, 1985 - Issue 3
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Original Articles

A new bond-order functional form for triatomic molecules

A fit of the BeFH potential energy

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Pages 629-639 | Received 08 Feb 1985, Accepted 30 May 1985, Published online: 22 Aug 2006
 

Abstract

A generalization to the triatomic systems of a Bond Order approach developed in the preceding paper for the diatomic molecules is discussed. The new global fitting procedure is first tested against other methods for the H3 molecule and then applied to the BeHF system.

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