configuration interaction


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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.
References in periodicals archive ?
An application of the first generation of electronic computers has provided a numerical proof of the vital role of finding the correct configuration interaction required for a description of even the simplest case of the ground state of the two electron He atom [7].
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.
12] raised to the first power combined with a conventional nonorthogonal configuration interaction basis.

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