Reply to the 'Comment on "multiconfigurational perturbation theory can predict a false ground state"' by J. Soto, F. Avila, J. C. Otero and J. F. Arenas, Phys. Chem. Chem. Phys., 2011, DOI: 10.1039/C0CP01917H

Cristopher Camacho, Renzo Cimiraglia, Henryk Arnold Witek

Research output: Contribution to journalReview articlepeer-review

4 Scopus citations

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.

Original languageEnglish
Pages (from-to)7232-7233
Number of pages2
JournalPhysical Chemistry Chemical Physics
Volume13
Issue number15
DOIs
StatePublished - 21 Apr 2011

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