Configuration interaction studies of small molecules
The method of Configuration Interaction (CI) has been used in a number of studies of small atomic and molecular systems. In Part I, CI wave functions for a series of pseudomolecular ions 2HZ2Z-1 are reformulated in terms of natural orbitals. Changes in the electron density as a function of the nucle...
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University of Leicester
1972
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| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.696183 |