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Conical Intersections from Particle-Particle Random Phase and Tamm-Dancoff Approximations

The particle-particle random phase approximation (pp-RPA) and the particle-particle Tamm-Dancoff approximation (pp-TDA) are applied to the challenging conical intersection problem. Since they describe the ground and excited states on the same footing and naturally take into account the interstate in...

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Détails bibliographiques
Publié dans:J Phys Chem Lett
Auteurs principaux: Yang, Yang, Shen, Lin, Zhang, Du, Yang, Weitao
Format: Artigo
Langue:Inglês
Publié: 2016
Sujets:
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC4978120/
https://ncbi.nlm.nih.gov/pubmed/27293013
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpclett.6b00936
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