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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 43, 1981 - Issue 1
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Original Articles

Application of linear response theory in a coupled cluster framework for the calculation of ionization potentials

Somnath Ghosh Theory Group, Department of Physical Chemistry, Indian Association For The Cultivation of Science, Calcutta, 700 032, India
,
Debashis Mukherjee Theory Group, Department of Physical Chemistry, Indian Association For The Cultivation of Science, Calcutta, 700 032, India; Department of Chemistry, University of Utah, Salt Lake City, Utah, 84112, U.S.A.
&
Subirnath Bhattacharyya Department of Chemistry, University of Calcutta, Calcutta, 700 009, India
Pages 173-179 | Received 08 Dec 1980, Accepted 15 Jan 1981, Published online: 23 Aug 2006
 
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Abstract

A previous application [1] of linear response theory to the direct calculation of transition energies is extended to the direct calculation of ionization potentials.

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