Chenyang Li - Publications

Affiliations: 
2021- Chemistry Beijing Normal University, Beijing, Beijing Shi, China 
Area:
quantum chemistry

23 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2022 Wang M, Fang WH, Li C. Assessment of State-Averaged Driven Similarity Renormalization Group on Vertical Excitation Energies: Optimal Flow Parameters and Applications to Nucleobases. Journal of Chemical Theory and Computation. 19: 122-136. PMID 36534617 DOI: 10.1021/acs.jctc.2c00966  0.325
2022 He N, Li C, Evangelista FA. Second-Order Active-Space Embedding Theory. Journal of Chemical Theory and Computation. PMID 35175028 DOI: 10.1021/acs.jctc.1c01099  0.714
2021 Huang M, Li C, Evangelista FA. Theoretical Calculation of Core-Excited States along Dissociative Pathways beyond Second-Order Perturbation Theory. Journal of Chemical Theory and Computation. PMID 34964628 DOI: 10.1021/acs.jctc.1c00884  0.741
2021 Wang S, Li C, Evangelista FA. Analytic Energy Gradients for the Driven Similarity Renormalization Group Multireference Second-Order Perturbation Theory. Journal of Chemical Theory and Computation. 17: 7666-7681. PMID 34839660 DOI: 10.1021/acs.jctc.1c00980  0.753
2021 Li C, Evangelista FA. Spin-free formulation of the multireference driven similarity renormalization group: A benchmark study of first-row diatomic molecules and spin-crossover energetics. The Journal of Chemical Physics. 155: 114111. PMID 34551530 DOI: 10.1063/5.0059362  0.708
2020 Xu Z, Huang Z, Li C, Huang T, Evangelista FA, Tang ML, Lian T. Tuning QD/mediator Interface for Optimal Efficiency of Quantum Dot Sensitized Near Infrared to Visible Photon Upconversion Systems. Acs Applied Materials & Interfaces. PMID 32677433 DOI: 10.1021/Acsami.0C10269  0.65
2020 Li C, Evangelista FA. Connected three-body terms in single-reference unitary many-body theories: Iterative and perturbative approximations. The Journal of Chemical Physics. 152: 234116. PMID 32571040 DOI: 10.1063/5.0008353  0.737
2019 Wang S, Li C, Evangelista FA. Analytic gradients for the single-reference driven similarity renormalization group second-order perturbation theory. The Journal of Chemical Physics. 151: 044118. PMID 31370522 DOI: 10.1063/1.5100175  0.747
2019 Zhang T, Li C, Evangelista FA. Improving the efficiency of the multireference driven similarity renormalization group via sequential transformation, density fitting, and the non-interacting virtual orbital approximation. Journal of Chemical Theory and Computation. PMID 31268704 DOI: 10.1021/acs.jctc.9b00353  0.733
2019 Li C, Lindh R, Evangelista FA. Dynamically weighted multireference perturbation theory: Combining the advantages of multi-state and state-averaged methods. The Journal of Chemical Physics. 150: 144107. PMID 30981256 DOI: 10.1063/1.5088120  0.709
2019 Li C, Evangelista FA. Multireference Theories of Electron Correlation Based on the Driven Similarity Renormalization Group. Annual Review of Physical Chemistry. PMID 30893000 DOI: 10.1146/annurev-physchem-042018-052416  0.679
2018 Schriber JB, Hannon KP, Li C, Evangelista FA. A Combined Selected Configuration Interaction and Many-Body Treatment of Static and Dynamical Correlation in Oligoacenes. Journal of Chemical Theory and Computation. PMID 30388005 DOI: 10.1021/acs.jctc.8b00877  0.692
2018 Li C, Evangelista FA. Driven similarity renormalization group for excited states: A state-averaged perturbation theory. The Journal of Chemical Physics. 148: 124106. PMID 29604867 DOI: 10.1063/1.5019793  0.74
2018 Li C, Evangelista FA. Erratum: "Driven similarity renormalization group: Third-order multireference perturbation theory" [J. Chem. Phys. 146, 124132 (2017)]. The Journal of Chemical Physics. 148: 079902. PMID 29471654 DOI: 10.1063/1.5023904  0.73
2018 Li C, Evangelista FA. Erratum: "Towards numerically robust multireference theories: The driven similarity renormalization group truncated to one- and two-body operators" [J. Chem. Phys. 144, 164114 (2016)]. The Journal of Chemical Physics. 148: 079903. PMID 29471648 DOI: 10.1063/1.5023493  0.712
2017 Li C, Verma P, Hannon KP, Evangelista FA. A low-cost approach to electronic excitation energies based on the driven similarity renormalization group. The Journal of Chemical Physics. 147: 074107. PMID 28830152 DOI: 10.1063/1.4997480  0.715
2017 Li C, Evangelista FA. Driven similarity renormalization group: Third-order multireference perturbation theory. The Journal of Chemical Physics. 146: 124132. PMID 28388133 DOI: 10.1063/1.4979016  0.74
2016 Hannon KP, Li C, Evangelista FA. An integral-factorized implementation of the driven similarity renormalization group second-order multireference perturbation theory. The Journal of Chemical Physics. 144: 204111. PMID 27250283 DOI: 10.1063/1.4951684  0.747
2016 Li C, Evangelista FA. Towards numerically robust multireference theories: The driven similarity renormalization group truncated to one- and two-body operators. The Journal of Chemical Physics. 144: 164114. PMID 27131538 DOI: 10.1063/1.4947218  0.743
2015 Li C, Evangelista FA. Multireference Driven Similarity Renormalization Group: A Second-Order Perturbative Analysis. Journal of Chemical Theory and Computation. 11: 2097-108. PMID 26574413 DOI: 10.1021/acs.jctc.5b00134  0.746
2015 Li C, Agarwal J, Wu CH, Allen WD, Schaefer HF. Intricate internal rotation surface and fundamental infrared transitions of the n-propyl radical. The Journal of Physical Chemistry. B. 119: 728-35. PMID 25007004 DOI: 10.1021/Jp504764T  0.628
2015 Li C, Agarwal J, Wu CH, Allen WD, Schaefer HF. Intricate internal rotation surface and fundamental infrared transitions of the n-propyl radical. The Journal of Physical Chemistry. B. 119: 728-35. PMID 25007004 DOI: 10.1021/Jp504764T  0.628
2014 Li C, Agarwal J, Schaefer HF. The remarkable [ReH9]2- dianion: molecular structure and vibrational frequencies. The Journal of Physical Chemistry. B. 118: 6482-90. PMID 24494734 DOI: 10.1021/jp412003s  0.429
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