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Full configuration interaction

Full configuration interaction (or full CI) is a linear variational approach which provides numerically exact solutions (within the infinitely flexible complete basis set) to the electronic time-independent, non-relativistic Schrödinger equation.

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Full configuration interaction

Nodes18
Edges17
Triples4
Avg. degree1.89
Density0.111111
Components1

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full ci configuration basis citation needed interaction electronic functions exact within set determinants possible methods variational case method slater state

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SubjectPredicateObjectConfidenceSrc
bond-breaking reactionsinstance ofThis is particularly important in cases0.80text
diradicalsinstance ofThis is particularly important in cases0.80text
and first-row transition metalsinstance ofThis is particularly important in cases0.80text
where electronic near-degeneracies can invalidate the approximations inherent in many standard methods such as Hartreeinstance ofThis is particularly important in cases0.80text

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