Effects of different initial condition samplings on photodynamics and spectrum of pyrrole
Author:
Affiliation:
1. Aix Marseille Université, CNRS, ICR UMR7273; Marseille 13397 France
2. Department of Chemistry; École Normale Supérieure, UMR ENS-CNRS-UPMC 8640; Paris 75005 France
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/qua.25049/fullpdf
Reference71 articles.
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4. Block correlated coupled cluster method with the complete active-space self-consistent-field reference function: Applications for low-lying electronic excited states
5. Triple excitations in state-specific multireference coupled cluster theory: Application of Mk-MRCCSDT and Mk-MRCCSDT-n methods to model systems
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