Su NQ - Search Results

1

Multireference Density Functional Theory with Generalized Auxiliary Systems for Ground and Excited States.

Chen Z, Zhang D, Jin Y, Yang Y, Su NQ, Yang W. Chen Z, et al. Among authors: su nq. J Phys Chem Lett. 2017 Sep 21;8(18):4479-4485. doi: 10.1021/acs.jpclett.7b01864. Epub 2017 Sep 6. J Phys Chem Lett. 2017. PMID: 28857560 Free PMC article.

2

Fractional charge behavior and band gap predictions with the XYG3 type of doubly hybrid density functionals.

Su NQ, Yang W, Mori-Sánchez P, Xu X. Su NQ, et al. J Phys Chem A. 2014 Oct 2;118(39):9201-11. doi: 10.1021/jp5029992. Epub 2014 Jun 3. J Phys Chem A. 2014. PMID: 24844969

3

Product selectivity in plasmonic photocatalysis for carbon dioxide hydrogenation.

Zhang X, Li X, Zhang D, Su NQ, Yang W, Everitt HO, Liu J. Zhang X, et al. Among authors: su nq. Nat Commun. 2017 Feb 23;8:14542. doi: 10.1038/ncomms14542. Nat Commun. 2017. PMID: 28230100 Free PMC article.

4

Accurate Quasiparticle Spectra from the T-Matrix Self-Energy and the Particle-Particle Random Phase Approximation.

Zhang D, Su NQ, Yang W. Zhang D, et al. Among authors: su nq. J Phys Chem Lett. 2017 Jul 20;8(14):3223-3227. doi: 10.1021/acs.jpclett.7b01275. Epub 2017 Jul 3. J Phys Chem Lett. 2017. PMID: 28654275

5

Generalized Optimized Effective Potential for Orbital Functionals and Self-Consistent Calculation of Random Phase Approximations.

Jin Y, Zhang D, Chen Z, Su NQ, Yang W. Jin Y, et al. Among authors: su nq. J Phys Chem Lett. 2017 Oct 5;8(19):4746-4751. doi: 10.1021/acs.jpclett.7b02165. Epub 2017 Sep 18. J Phys Chem Lett. 2017. PMID: 28895734 Free PMC article.

6

Plasmon-Enhanced Catalysis: Distinguishing Thermal and Nonthermal Effects.

Zhang X, Li X, Reish ME, Zhang D, Su NQ, Gutiérrez Y, Moreno F, Yang W, Everitt HO, Liu J. Zhang X, et al. Among authors: su nq. Nano Lett. 2018 Mar 14;18(3):1714-1723. doi: 10.1021/acs.nanolett.7b04776. Epub 2018 Feb 19. Nano Lett. 2018. PMID: 29438619

7

Describing strong correlation with fractional-spin correction in density functional theory.

Su NQ, Li C, Yang W. Su NQ, et al. Proc Natl Acad Sci U S A. 2018 Sep 25;115(39):9678-9683. doi: 10.1073/pnas.1807095115. Epub 2018 Sep 10. Proc Natl Acad Sci U S A. 2018. PMID: 30201706 Free PMC article.

8

Approximating Quasiparticle and Excitation Energies from Ground State Generalized Kohn-Sham Calculations.

Mei Y, Li C, Su NQ, Yang W. Mei Y, et al. Among authors: su nq. J Phys Chem A. 2019 Jan 24;123(3):666-673. doi: 10.1021/acs.jpca.8b10380. Epub 2019 Jan 10. J Phys Chem A. 2019. PMID: 30589546 Free PMC article.

9

Renormalized Singles Green's Function for Quasi-Particle Calculations beyond the G₀ W₀ Approximation.

Jin Y, Su NQ, Yang W. Jin Y, et al. Among authors: su nq. J Phys Chem Lett. 2019 Feb 7;10(3):447-452. doi: 10.1021/acs.jpclett.8b03337. Epub 2019 Jan 16. J Phys Chem Lett. 2019. PMID: 30609900

10

Insights into Direct Methods for Predictions of Ionization Potential and Electron Affinity in Density Functional Theory.

Su NQ, Xu X. Su NQ, et al. J Phys Chem Lett. 2019 Jun 6;10(11):2692-2699. doi: 10.1021/acs.jpclett.9b01052. Epub 2019 May 10. J Phys Chem Lett. 2019. PMID: 31059262

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