Combined complete active space configuration interaction and perturbation theory applied to conformational energy prototypes: Rotation and inversion barriers
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference176 articles.
1. Equation-of-motion coupled-cluster methods for open-shell and electronically excited species: the hitchhiker’s guide to Fock space;Krylov;Annu. Rev. Phys. Chem.,2008
2. The density matrix renormalization group in quantum chemistry;Chan;Annu. Rev. Phys. Chem.,2011
3. Multireference nature of chemistry: the coupled-cluster view;Lyakh;Chem. Rev.,2012
4. Magnetic interactions in molecules and highly correlated materials: physical content, analytical derivation, and rigorous extraction of magnetic Hamiltonians;Malrieu;Chem. Rev.,2014
5. State-specific multireference perturbation theory: development and present status;Chattopadhyay;WIREs: Comput. Mol. Sci.,2016
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