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means that the energy of two non-interacting (i.e. at large distance apart) molecules calculated directly will be the sum of the energies of the two molecules calculated separately. This method called QCISD was developed in the group of
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David
Maurice; Martin Head-Gordon (May 10, 1999). "Analytical second derivatives for excited electronic states using the single excitation configuration interaction method: theory and application to benzopyrene and chalcone".
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John A. Pople; Martin HeadāGordon; Krishnan
Raghavachari (1987). "Quadratic configuration interaction. A general technique for determining electron correlation energies".
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Krishnan
Raghavachari, Gary W. Trucks, John A. Pople and, Martin Head-Gordon (March 24, 1989). "A fifth-order perturbation comparison of electron correlation theories".
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method, CCSD. QCISD can be improved by the same perturbative inclusion of unlinked triples to give QCISD(T). This gives similar results to CCSD(T).
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George D. Purvis; Rodney J. Bartlett (1982). "A full coupledācluster singles and doubles model: The inclusion of disconnected triples".
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Martin Head-Gordon; Rudolph J. Rico; Manabu Oumi; Timothy J. Lee (1994).
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errors in single and double excitation CI methods (CISD).
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