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 *

203 related articles for article (PubMed ID: 31899861)

  • 1. Self-Consistent Implementation of Hybrid Functionals with Local Range Separation.
    Klawohn S; Bahmann H
    J Chem Theory Comput; 2020 Feb; 16(2):953-963. PubMed ID: 31899861
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Hybrid functionals with local range separation: Accurate atomization energies and reaction barrier heights.
    Brütting M; Bahmann H; Kümmel S
    J Chem Phys; 2022 Mar; 156(10):104109. PubMed ID: 35291795
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Double-hybrid density-functional theory with meta-generalized-gradient approximations.
    Souvi SM; Sharkas K; Toulouse J
    J Chem Phys; 2014 Feb; 140(8):084107. PubMed ID: 24588148
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Importance of the correlation contribution for local hybrid functionals: range separation and self-interaction corrections.
    Arbuznikov AV; Kaupp M
    J Chem Phys; 2012 Jan; 136(1):014111. PubMed ID: 22239773
    [TBL] [Abstract][Full Text] [Related]  

  • 5. The Perdew-Burke-Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set.
    Paier J; Hirschl R; Marsman M; Kresse G
    J Chem Phys; 2005 Jun; 122(23):234102. PubMed ID: 16008425
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Analysis of the Heyd-Scuseria-Ernzerhof density functional parameter space.
    Moussa JE; Schultz PA; Chelikowsky JR
    J Chem Phys; 2012 May; 136(20):204117. PubMed ID: 22667550
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Structural and Electronic Properties of Bulk ZnX (X = O, S, Se, Te), ZnF
    Flores EM; Moreira ML; Piotrowski MJ
    J Phys Chem A; 2020 May; 124(19):3778-3785. PubMed ID: 32329619
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Validation of local hybrid functionals for TDDFT calculations of electronic excitation energies.
    Maier TM; Bahmann H; Arbuznikov AV; Kaupp M
    J Chem Phys; 2016 Feb; 144(7):074106. PubMed ID: 26896975
    [TBL] [Abstract][Full Text] [Related]  

  • 9. An improved long-range corrected hybrid exchange-correlation functional including a short-range Gaussian attenuation (LCgau-BOP).
    Song JW; Tokura S; Sato T; Watson MA; Hirao K
    J Chem Phys; 2007 Oct; 127(15):154109. PubMed ID: 17949134
    [TBL] [Abstract][Full Text] [Related]  

  • 10. A thermochemically competitive local hybrid functional without gradient corrections.
    Bahmann H; Rodenberg A; Arbuznikov AV; Kaupp M
    J Chem Phys; 2007 Jan; 126(1):011103. PubMed ID: 17212482
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Electronic Band Shapes Calculated with Optimally Tuned Range-Separated Hybrid Functionals.
    Moore B; Charaf-Eddin A; Planchat A; Adamo C; Autschbach J; Jacquemin D
    J Chem Theory Comput; 2014 Oct; 10(10):4599-608. PubMed ID: 26588153
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Exploring local range separation: The role of spin scaling and one-electron self-interaction.
    Aschebrock T; Kümmel S
    J Chem Phys; 2019 Oct; 151(15):154108. PubMed ID: 31640369
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Screened hybrid meta-GGA exchange-correlation functionals for extended systems.
    Jana S; Samal P
    Phys Chem Chem Phys; 2019 Feb; 21(6):3002-3015. PubMed ID: 30672528
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Semiempirical double-hybrid density functional with improved description of long-range correlation.
    Benighaus T; DiStasio RA; Lochan RC; Chai JD; Head-Gordon M
    J Phys Chem A; 2008 Mar; 112(12):2702-12. PubMed ID: 18318517
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Structure and properties of metal-exchanged zeolites studied using gradient-corrected and hybrid functionals. III. Energetics and vibrational spectroscopy of adsorbates.
    Göltl F; Hafner J
    J Chem Phys; 2012 Feb; 136(6):064503. PubMed ID: 22360191
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Toward the Next Generation of Density Functionals: Escaping the Zero-Sum Game by Using the Exact-Exchange Energy Density.
    Kaupp M; Wodyński A; Arbuznikov AV; Fürst S; Schattenberg CJ
    Acc Chem Res; 2024 Jul; 57(13):1815-1826. PubMed ID: 38905497
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Towards improved local hybrid functionals by calibration of exchange-energy densities.
    Arbuznikov AV; Kaupp M
    J Chem Phys; 2014 Nov; 141(20):204101. PubMed ID: 25429927
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Efficient Semi-numerical Implementation of Global and Local Hybrid Functionals for Time-Dependent Density Functional Theory.
    Maier TM; Bahmann H; Kaupp M
    J Chem Theory Comput; 2015 Sep; 11(9):4226-37. PubMed ID: 26575918
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Combining Local Range Separation and Local Hybrids: A Step in the Quest for Obtaining Good Energies and Eigenvalues from One Functional.
    Brütting M; Bahmann H; Kümmel S
    J Phys Chem A; 2024 Jul; 128(26):5212-5223. PubMed ID: 38905018
    [TBL] [Abstract][Full Text] [Related]  

  • 20. The correlation factor model for the exchange-correlation energy and its application to transition metal compounds.
    Wang R; Zhou Y; Ernzerhof M
    J Chem Phys; 2019 Feb; 150(8):084107. PubMed ID: 30823773
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 11.