Jenkins AJ - Search Results

1

Exact-Two-Component Relativistic Multireference Second-Order Perturbation Theory.

Lu L, Hu H, Jenkins AJ, Li X. Lu L, et al. Among authors: jenkins aj. J Chem Theory Comput. 2022 May 10;18(5):2983-2992. doi: 10.1021/acs.jctc.2c00171. Epub 2022 Apr 28. J Chem Theory Comput. 2022. PMID: 35481362

2

Time-Dependent Complete Active Space Embedded in a Polarizable Force Field.

Liu H, Jenkins AJ, Wildman A, Frisch MJ, Lipparini F, Mennucci B, Li X. Liu H, et al. Among authors: jenkins aj. J Chem Theory Comput. 2019 Mar 12;15(3):1633-1641. doi: 10.1021/acs.jctc.8b01152. Epub 2019 Feb 12. J Chem Theory Comput. 2019. PMID: 30689381

3

Variational Relativistic Two-Component Complete-Active-Space Self-Consistent Field Method.

Jenkins AJ, Liu H, Kasper JM, Frisch MJ, Li X. Jenkins AJ, et al. J Chem Theory Comput. 2019 May 14;15(5):2974-2982. doi: 10.1021/acs.jctc.9b00011. Epub 2019 May 2. J Chem Theory Comput. 2019. PMID: 31018093

4

Correction to "Variational Relativistic Two-Component Complete-Active-Space Self-Consistent Field Method".

Jenkins AJ, Liu H, Kasper JM, Frisch MJ, Li X. Jenkins AJ, et al. J Chem Theory Comput. 2020 May 12;16(5):3445. doi: 10.1021/acs.jctc.0c00317. Epub 2020 Apr 10. J Chem Theory Comput. 2020. PMID: 32275151 No abstract available.

5

Relativistic Two-Component Multireference Configuration Interaction Method with Tunable Correlation Space.

Hu H, Jenkins AJ, Liu H, Kasper JM, Frisch MJ, Li X. Hu H, et al. Among authors: jenkins aj. J Chem Theory Comput. 2020 May 12;16(5):2975-2984. doi: 10.1021/acs.jctc.9b01290. Epub 2020 Apr 21. J Chem Theory Comput. 2020. PMID: 32275418

6

Perspective on Kramers symmetry breaking and restoration in relativistic electronic structure methods for open-shell systems.

Kasper JM, Jenkins AJ, Sun S, Li X. Kasper JM, et al. Among authors: jenkins aj. J Chem Phys. 2020 Sep 7;153(9):090903. doi: 10.1063/5.0015279. J Chem Phys. 2020. PMID: 32891097

7

The "Hole" Story in Ionized Water from the Perspective of Ehrenfest Dynamics.

Lu L, Wildman A, Jenkins AJ, Young L, Clark AE, Li X. Lu L, et al. Among authors: jenkins aj. J Phys Chem Lett. 2020 Nov 19;11(22):9946-9951. doi: 10.1021/acs.jpclett.0c02987. Epub 2020 Nov 10. J Phys Chem Lett. 2020. PMID: 33170721

8

Two-Component Multireference Restricted Active Space Configuration Interaction for the Computation of L-Edge X-ray Absorption Spectra.

Jenkins AJ, Hu H, Lu L, Frisch MJ, Li X. Jenkins AJ, et al. J Chem Theory Comput. 2022 Jan 11;18(1):141-150. doi: 10.1021/acs.jctc.1c00564. Epub 2021 Dec 15. J Chem Theory Comput. 2022. PMID: 34908414

9

Exact-Two-Component Multiconfiguration Pair-Density Functional Theory.

Sharma P, Jenkins AJ, Scalmani G, Frisch MJ, Truhlar DG, Gagliardi L, Li X. Sharma P, et al. Among authors: jenkins aj. J Chem Theory Comput. 2022 May 10;18(5):2947-2954. doi: 10.1021/acs.jctc.2c00062. Epub 2022 Apr 6. J Chem Theory Comput. 2022. PMID: 35384665

10

State Interaction Linear Response Time-Dependent Density Functional Theory with Perturbative Spin-Orbit Coupling: Benchmark and Perspectives.

Liao C, Kasper JM, Jenkins AJ, Yang P, Batista ER, Frisch MJ, Li X. Liao C, et al. Among authors: jenkins aj. JACS Au. 2023 Feb 1;3(2):358-367. doi: 10.1021/jacsau.2c00659. eCollection 2023 Feb 27. JACS Au. 2023. PMID: 36873704 Free PMC article. Review.

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