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 *

137 related articles for article (PubMed ID: 32369352)

  • 1. Accuracy of Hybrid Functionals with Non-Self-Consistent Kohn-Sham Orbitals for Predicting the Properties of Semiconductors.
    Skelton JM; Gunn DSD; Metz S; Parker SC
    J Chem Theory Comput; 2020 Jun; 16(6):3543-3557. PubMed ID: 32369352
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Assessing the performance of self-consistent hybrid functional for band gap calculation in oxide semiconductors.
    He J; Franchini C
    J Phys Condens Matter; 2017 Nov; 29(45):454004. PubMed ID: 28812543
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Band Gap of 3D Metal Oxides and Quasi-2D Materials from Hybrid Density Functional Theory: Are Dielectric-Dependent Functionals Superior?
    Das T; Di Liberto G; Tosoni S; Pacchioni G
    J Chem Theory Comput; 2019 Nov; 15(11):6294-6312. PubMed ID: 31614082
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Assessing model-dielectric-dependent hybrid functionals on the antiferromagnetic transition-metal monoxides MnO, FeO, CoO, and NiO.
    Liu P; Franchini C; Marsman M; Kresse G
    J Phys Condens Matter; 2020 Jan; 32(1):015502. PubMed ID: 31484169
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Self-Consistent Hybrid Functional Calculations: Implications for Structural, Electronic, and Optical Properties of Oxide Semiconductors.
    Fritsch D; Morgan BJ; Walsh A
    Nanoscale Res Lett; 2017 Dec; 12(1):19. PubMed ID: 28058655
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Local Hybrid Density Functional for Interfaces.
    Borlido P; Marques MAL; Botti S
    J Chem Theory Comput; 2018 Feb; 14(2):939-947. PubMed ID: 29227686
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Shrinking Self-Interaction Errors with the Fermi-Löwdin Orbital Self-Interaction-Corrected Density Functional Approximation.
    Sharkas K; Li L; Trepte K; Withanage KPK; Joshi RP; Zope RR; Baruah T; Johnson JK; Jackson KA; Peralta JE
    J Phys Chem A; 2018 Dec; 122(48):9307-9315. PubMed ID: 30412407
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Accurate band gaps and dielectric properties from one-electron theories (abstract only).
    Kresse G; Shishkin M; Marsman M; Paier J
    J Phys Condens Matter; 2008 Feb; 20(6):064203. PubMed ID: 21693865
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Physical Meaning of Virtual Kohn-Sham Orbitals and Orbital Energies: An Ideal Basis for the Description of Molecular Excitations.
    van Meer R; Gritsenko OV; Baerends EJ
    J Chem Theory Comput; 2014 Oct; 10(10):4432-41. PubMed ID: 26588140
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems.
    Gagliardi L; Truhlar DG; Li Manni G; Carlson RK; Hoyer CE; Bao JL
    Acc Chem Res; 2017 Jan; 50(1):66-73. PubMed ID: 28001359
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Band Gap in Magnetic Insulators from a Charge Transition Level Approach.
    Cipriano LA; Di Liberto G; Tosoni S; Pacchioni G
    J Chem Theory Comput; 2020 Jun; 16(6):3786-3798. PubMed ID: 32427487
    [TBL] [Abstract][Full Text] [Related]  

  • 12. DFT-1/2 and shell DFT-1/2 methods: electronic structure calculation for semiconductors at LDA complexity.
    Mao GQ; Yan ZY; Xue KH; Ai Z; Yang S; Cui H; Yuan JH; Ren TL; Miao X
    J Phys Condens Matter; 2022 Aug; 34(40):. PubMed ID: 35856860
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Effects of the locality of a potential derived from hybrid density functionals on Kohn-Sham orbitals and excited states.
    Kim J; Hong K; Hwang SY; Ryu S; Choi S; Kim WY
    Phys Chem Chem Phys; 2017 Apr; 19(15):10177-10186. PubMed ID: 28374031
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Predicting bond dissociation energy and bond length for bimetallic diatomic molecules: a challenge for electronic structure theory.
    Bao JL; Zhang X; Xu X; Truhlar DG
    Phys Chem Chem Phys; 2017 Feb; 19(8):5839-5854. PubMed ID: 28177019
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Spectroscopic properties of doped and defective semiconducting oxides from hybrid density functional calculations.
    Di Valentin C; Pacchioni G
    Acc Chem Res; 2014 Nov; 47(11):3233-41. PubMed ID: 24828320
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Accuracy of dielectric-dependent hybrid functionals in the prediction of optoelectronic properties of metal oxide semiconductors: a comprehensive comparison with many-body GW and experiments.
    Gerosa M; Bottani CE; Di Valentin C; Onida G; Pacchioni G
    J Phys Condens Matter; 2018 Jan; 30(4):044003. PubMed ID: 29087359
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Assessing the accuracy of hybrid exchange-correlation functionals for the density response of warm dense electrons.
    Moldabekov ZA; Lokamani M; Vorberger J; Cangi A; Dornheim T
    J Chem Phys; 2023 Mar; 158(9):094105. PubMed ID: 36889956
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Random phase approximation with second-order screened exchange for current-carrying atomic states.
    Zhu W; Zhang L; Trickey SB
    J Chem Phys; 2016 Dec; 145(22):224106. PubMed ID: 27984916
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Understanding and Calibrating Density-Functional-Theory Calculations Describing the Energy and Spectroscopy of Defect Sites in Hexagonal Boron Nitride.
    Reimers JR; Sajid A; Kobayashi R; Ford MJ
    J Chem Theory Comput; 2018 Mar; 14(3):1602-1613. PubMed ID: 29412670
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Interpolative Separable Density Fitting Decomposition for Accelerating Hybrid Density Functional Calculations with Applications to Defects in Silicon.
    Hu W; Lin L; Yang C
    J Chem Theory Comput; 2017 Nov; 13(11):5420-5431. PubMed ID: 28960982
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.