These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

149 related articles for article (PubMed ID: 34310157)

  • 1. Exact Second-Order Corrections and Accurate Quasiparticle Energy Calculations in Density Functional Theory.
    Mei Y; Chen Z; Yang W
    J Phys Chem Lett; 2021 Aug; 12(30):7236-7244. PubMed ID: 34310157
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Approximating Quasiparticle and Excitation Energies from Ground State Generalized Kohn-Sham Calculations.
    Mei Y; Li C; Su NQ; Yang W
    J Phys Chem A; 2019 Jan; 123(3):666-673. PubMed ID: 30589546
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Density Functional Prediction of Quasiparticle, Excitation, and Resonance Energies of Molecules With a Global Scaling Correction Approach.
    Yang X; Zheng X; Yang W
    Front Chem; 2020; 8():588808. PubMed ID: 33425848
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Density functional approximations for orbital energies and total energies of molecules and solids.
    Baerends EJ
    J Chem Phys; 2018 Aug; 149(5):054105. PubMed ID: 30089375
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Charge transfer excitation energies from ground state density functional theory calculations.
    Mei Y; Yang W
    J Chem Phys; 2019 Apr; 150(14):144109. PubMed ID: 30981264
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Delocalization Errors in Density Functional Theory Are Essentially Quadratic in Fractional Occupation Number.
    Hait D; Head-Gordon M
    J Phys Chem Lett; 2018 Nov; 9(21):6280-6288. PubMed ID: 30339010
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Linear fractional charge behavior in density functional theory through dielectric tuning of conductor-like polarizable continuum model.
    Hemmingsen LO; Hervir OAJ; Dale SG
    J Chem Phys; 2022 Jan; 156(1):014106. PubMed ID: 34998325
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Describing polymer polarizability with localized orbital scaling correction in density functional theory.
    Mei Y; Yang N; Yang W
    J Chem Phys; 2021 Feb; 154(5):054302. PubMed ID: 33557560
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Describing strong correlation with fractional-spin correction in density functional theory.
    Su NQ; Li C; Yang W
    Proc Natl Acad Sci U S A; 2018 Sep; 115(39):9678-9683. PubMed ID: 30201706
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Fractional occupation numbers and self-interaction correction-scaling methods with the Fermi-Löwdin orbital self-interaction correction approach.
    Aquino FW; Shinde R; Wong BM
    J Comput Chem; 2020 May; 41(12):1200-1208. PubMed ID: 32045026
    [TBL] [Abstract][Full Text] [Related]  

  • 11. LibSC: Library for Scaling Correction Methods in Density Functional Theory.
    Mei Y; Yu J; Chen Z; Su NQ; Yang W
    J Chem Theory Comput; 2022 Feb; 18(2):840-850. PubMed ID: 35060732
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Self-Consistent Calculation of the Localized Orbital Scaling Correction for Correct Electron Densities and Energy-Level Alignments in Density Functional Theory.
    Mei Y; Chen Z; Yang W
    J Phys Chem Lett; 2020 Dec; 11(23):10269-10277. PubMed ID: 33215928
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Orbital energies and negative electron affinities from density functional theory: Insight from the integer discontinuity.
    Teale AM; De Proft F; Tozer DJ
    J Chem Phys; 2008 Jul; 129(4):044110. PubMed ID: 18681637
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Low-Order Scaling Quasiparticle Self-Consistent GW for Molecules.
    Förster A; Visscher L
    Front Chem; 2021; 9():736591. PubMed ID: 34540804
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Delocalization error and "functional tuning" in Kohn-Sham calculations of molecular properties.
    Autschbach J; Srebro M
    Acc Chem Res; 2014 Aug; 47(8):2592-602. PubMed ID: 24968277
    [TBL] [Abstract][Full Text] [Related]  

  • 16. The Electron Affinity as the Highest Occupied Anion Orbital Energy with a Sufficiently Accurate Approximation of the Exact Kohn-Sham Potential.
    Amati M; Stoia S; Baerends EJ
    J Chem Theory Comput; 2020 Jan; 16(1):443-452. PubMed ID: 31794657
    [TBL] [Abstract][Full Text] [Related]  

  • 17. First-principles photoemission spectroscopy and orbital tomography in molecules from koopmans-compliant functionals.
    Nguyen NL; Borghi G; Ferretti A; Dabo I; Marzari N
    Phys Rev Lett; 2015 Apr; 114(16):166405. PubMed ID: 25955063
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Extension of many-body theory and approximate density functionals to fractional charges and fractional spins.
    Yang W; Mori-Sánchez P; Cohen AJ
    J Chem Phys; 2013 Sep; 139(10):104114. PubMed ID: 24050335
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Strong Correlation and Charge Localization in Kohn-Sham Theories with Fractional Orbital Occupations.
    Hellgren M; Gould T
    J Chem Theory Comput; 2019 Sep; 15(9):4907-4914. PubMed ID: 31430145
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Divergence of Many-Body Perturbation Theory for Noncovalent Interactions of Large Molecules.
    Nguyen BD; Chen GP; Agee MM; Burow AM; Tang MP; Furche F
    J Chem Theory Comput; 2020 Apr; 16(4):2258-2273. PubMed ID: 32105488
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.