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A Combined Selected Configuration Interaction and Many-Body Treatment of Static and Dynamical Correlation in Oligoacenes.
Schriber JB, Hannon KP, Li C, Evangelista FA. Schriber JB, et al. Among authors: li c. J Chem Theory Comput. 2018 Dec 11;14(12):6295-6305. doi: 10.1021/acs.jctc.8b00877. Epub 2018 Nov 15. J Chem Theory Comput. 2018. PMID: 30388005
Phys. 2016, 144, 161106] with a density-fitted implementation of the second-order perturbative multireference-driven similarity renormalization group (DSRG-MRPT2) [K. P. Hannon, C. Li, and F. A. Evangelista, J. Chem. Phys. 2016, 144, 204111]. We use ACI reference wa …
Phys. 2016, 144, 161106] with a density-fitted implementation of the second-order perturbative multireference-driven similarity renormalizat …
Towards numerically robust multireference theories: The driven similarity renormalization group truncated to one- and two-body operators.
Li C, Evangelista FA. Li C, et al. J Chem Phys. 2016 Apr 28;144(16):164114. doi: 10.1063/1.4947218. J Chem Phys. 2016. PMID: 27131538
The first nonperturbative version of the multireference driven similarity renormalization group (MR-DSRG) theory [C. Li and F. A. Evangelista, J. Chem. Theory Comput. 11, 2097 (2015)] is introduced. ...
The first nonperturbative version of the multireference driven similarity renormalization group (MR-DSRG) theory [C. Li and F. …
An integral-factorized implementation of the driven similarity renormalization group second-order multireference perturbation theory.
Hannon KP, Li C, Evangelista FA. Hannon KP, et al. Among authors: li c. J Chem Phys. 2016 May 28;144(20):204111. doi: 10.1063/1.4951684. J Chem Phys. 2016. PMID: 27250283
We report an efficient implementation of a second-order multireference perturbation theory based on the driven similarity renormalization group (DSRG-MRPT2) [C. Li and F. A. Evangelista, J. Chem. Theory Comput. 11, 2097 (2015)]. Our implementation employs factorized …
We report an efficient implementation of a second-order multireference perturbation theory based on the driven similarity renormalization gr …
Driven similarity renormalization group for excited states: A state-averaged perturbation theory.
Li C, Evangelista FA. Li C, et al. J Chem Phys. 2018 Mar 28;148(12):124106. doi: 10.1063/1.5019793. J Chem Phys. 2018. PMID: 29604867
The multireference driven similarity renormalization group (MRDSRG) approach [C. Li and F. A. Evangelista, J. Chem. Theory Comput. 11, 2097 (2015)] is generalized to treat quasi-degenerate electronic excited states. ...
The multireference driven similarity renormalization group (MRDSRG) approach [C. Li and F. A. Evangelista, J. Chem. Theory Com …
89,716 results
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