On the use of reduced active space in CASSCF calculations
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference76 articles.
1. Conical intersections as a mechanistic feature of organic photochemistry;Robb;Pure Appl. Chem.,1995
2. Diabolical conical intersections;Yarkony;Rev. Mod. Phys.,1996
3. Conical intersections: diabolical and often misunderstood;Yarkony;Acc. Chem. Res.,1998
4. Conical intersections: the new conventional wisdom;Yarkony;J. Phys. Chem. A,2001
5. Conical intersection species as reactive intermediates;Bearpark,2007
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