DePrince AE 3rd - Search Results

1

Dirac-Coulomb-Breit Molecular Mean-Field Exact-Two-Component Relativistic Equation-of-Motion Coupled-Cluster Theory.

Zhang T, Banerjee S, Koulias LN, Valeev EF, DePrince AE 3rd, Li X. Zhang T, et al. Among authors: deprince ae 3rd. J Phys Chem A. 2024 Apr 23. doi: 10.1021/acs.jpca.3c08167. Online ahead of print. J Phys Chem A. 2024. PMID: 38651293

2

Single Reference Treatment of Strongly Correlated H₄ and H₁₀ Isomers with Richardson-Gaudin States.

Johnson PA, DePrince AE 3rd. Johnson PA, et al. Among authors: deprince ae 3rd. J Chem Theory Comput. 2023 Nov 28;19(22):8129-8146. doi: 10.1021/acs.jctc.3c00807. Epub 2023 Nov 13. J Chem Theory Comput. 2023. PMID: 37955440

3

Data-Driven Refinement of Electronic Energies from Two-Electron Reduced-Density-Matrix Theory.

Jones GM, Li RR, DePrince AE 3rd, Vogiatzis KD. Jones GM, et al. Among authors: deprince ae 3rd. J Phys Chem Lett. 2023 Jul 20;14(28):6377-6385. doi: 10.1021/acs.jpclett.3c01382. Epub 2023 Jul 7. J Phys Chem Lett. 2023. PMID: 37418691

4

Assessing the Effects of Orbital Relaxation and the Coherent-State Transformation in Quantum Electrodynamics Density Functional and Coupled-Cluster Theories.

Liebenthal MD, Vu N, DePrince AE 3rd. Liebenthal MD, et al. Among authors: deprince ae 3rd. J Phys Chem A. 2023 Jun 22;127(24):5264-5275. doi: 10.1021/acs.jpca.3c01842. Epub 2023 Jun 8. J Phys Chem A. 2023. PMID: 37289181

5

Correction to "Enhanced Diastereocontrol via Strong Light-Matter Interactions in an Optical Cavity".

Vu N, McLeod GM, Hanson K, DePrince AE 3rd. Vu N, et al. Among authors: deprince ae 3rd. J Phys Chem A. 2023 Feb 9;127(5):1386. doi: 10.1021/acs.jpca.3c00330. Epub 2023 Jan 30. J Phys Chem A. 2023. PMID: 36715605 No abstract available.

6

Design and Synthesis of Kekulè and Non-Kekulè Diradicaloids via the Radical Periannulation Strategy: The Power of Seven Clar's Sextets.

Kuriakose F, Commodore M, Hu C, Fabiano CJ, Sen D, Li RR, Bisht S, Üngör Ö, Lin X, Strouse GF, DePrince AE 3rd, Lazenby RA, Mentink-Vigier F, Shatruk M, Alabugin IV. Kuriakose F, et al. Among authors: deprince ae 3rd. J Am Chem Soc. 2022 Dec 28;144(51):23448-23464. doi: 10.1021/jacs.2c09637. Epub 2022 Dec 14. J Am Chem Soc. 2022. PMID: 36516873

7

Enhanced Diastereocontrol via Strong Light-Matter Interactions in an Optical Cavity.

Vu N, McLeod GM, Hanson K, DePrince AE 3rd. Vu N, et al. Among authors: deprince ae 3rd. J Phys Chem A. 2022 Dec 15;126(49):9303-9312. doi: 10.1021/acs.jpca.2c07134. Epub 2022 Dec 6. J Phys Chem A. 2022. PMID: 36472381

8

Challenges for Variational Reduced-Density-Matrix Theory: Total Angular Momentum Constraints.

Li RR, Rubin NC, DePrince AE 3rd. Li RR, et al. Among authors: deprince ae 3rd. J Chem Theory Comput. 2022 Oct 11;18(10):5966-5977. doi: 10.1021/acs.jctc.2c00402. Epub 2022 Sep 23. J Chem Theory Comput. 2022. PMID: 36150206

9

Equation-of-motion cavity quantum electrodynamics coupled-cluster theory for electron attachment.

Liebenthal MD, Vu N, DePrince AE 3rd. Liebenthal MD, et al. Among authors: deprince ae 3rd. J Chem Phys. 2022 Feb 7;156(5):054105. doi: 10.1063/5.0078795. J Chem Phys. 2022. PMID: 35135288

10

Challenges for variational reduced-density-matrix theory with three-particle N-representability conditions.

Li RR, Liebenthal MD, DePrince AE 3rd. Li RR, et al. Among authors: deprince ae 3rd. J Chem Phys. 2021 Nov 7;155(17):174110. doi: 10.1063/5.0066404. J Chem Phys. 2021. PMID: 34742213

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