Abstract
The conclusions of our recent communication [Phys. Chem. Chem. Phys. 2010, 12, 5058] are reaffirmed in the present response to a comment. Popular variants of multireference perturbation theory used in conjunction with the intruder-state removing techniques (aka shift techniques) are capable of predicting a false ground state for seemingly simple chemical systems.
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Schedule a callMore From: Zeitschrift für Elektrochemie und angewandte physikalische Chemie
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