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configuration interaction

   Also found in: Acronyms, Wikipedia 0.01 sec.
configuration interaction [kən‚fig·yə′rā·shən in·tər′ak·shən]
(physical chemistry)
Interaction between two different possible arrangements of the electrons in an atom (or molecule); the resulting electron distribution, energy levels, and transitions differ from what would occur in the absence of the interaction.


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They include excited state of photo-active proteins by configuration interaction studies, using the fragment molecular orbital (FMO) method to recognize specific bio-macromolecules, FMO in the study of viruses and their binding to receptors, and the chorismate mutase reaction as a case study for modeling a protein environment in an enzymatic catalysis.
12] raised to the first power combined with a conventional nonorthogonal configuration interaction basis.
The authors also note that several research groups are currently using these methods and theories in conjunction with the Moller-Plesset perturbation theory and the configuration interaction method.
 
 
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