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 *

27 related articles for article (PubMed ID: 26583245)

  • 1. Efficient Band Structure Calculation of Two-Dimensional Materials from Semilocal Density Functionals.
    Patra A; Jana S; Samal P; Tran F; Kalantari L; Doumont J; Blaha P
    J Phys Chem C Nanomater Interfaces; 2021 May; 125(20):11206-11215. PubMed ID: 34084266
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Semilocal Meta-GGA Exchange-Correlation Approximation from Adiabatic Connection Formalism: Extent and Limitations.
    Jana S; Śmiga S; Constantin LA; Samal P
    J Phys Chem A; 2023 Oct; 127(41):8685-8697. PubMed ID: 37811903
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Semilocal Kinetic Energy Density Functionals on Atoms and Diatoms.
    Wang T; Luo K; Lu R
    J Chem Theory Comput; 2024 Jun; 20(12):5176-5187. PubMed ID: 38861421
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Introducing a new exchange functional by altering the electron density's ionization dependency in density functional theory.
    Rahmatpour E; Esmaeili A
    Sci Rep; 2024 Feb; 14(1):3226. PubMed ID: 38331986
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Unveiling the Physics Behind Hybrid Functionals.
    Śmiga S; Constantin LA
    J Phys Chem A; 2020 Jul; 124(27):5606-5614. PubMed ID: 32551627
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Importance of the Kinetic Energy Density for Band Gap Calculations in Solids with Density Functional Theory.
    Tran F; Blaha P
    J Phys Chem A; 2017 May; 121(17):3318-3325. PubMed ID: 28402113
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Comment on: "Toward Accurate Two-Photon Absorption Spectrum Simulations: Exploring the Landscape beyond the Generalized Gradient Approximation".
    Grotjahn R; Furche F
    J Phys Chem Lett; 2024 Jun; 15(23):6237-6240. PubMed ID: 38867618
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Effective homogeneity of Fermi-Amaldi-containing exchange-correlation functionals.
    Tozer DJ
    J Chem Phys; 2023 Dec; 159(24):. PubMed ID: 38131479
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Density functional applications of jellium with a local gap model correlation energy functional.
    Jana S; Constantin LA; Samal P
    J Chem Phys; 2023 Sep; 159(11):. PubMed ID: 37721324
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Exact exchange-like electric response from a meta-generalized gradient approximation: A semilocal realization of ultranonlocality.
    Aschebrock T; Lebeda T; Brütting M; Richter R; Schelter I; Kümmel S
    J Chem Phys; 2023 Dec; 159(23):. PubMed ID: 38099546
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Entropy is a good approximation to the electronic (static) correlation energy.
    Martinez B JA; Shao X; Jiang K; Pavanello M
    J Chem Phys; 2023 Nov; 159(19):. PubMed ID: 37965995
    [TBL] [Abstract][Full Text] [Related]  

  • 12. A step toward density benchmarking-The energy-relevant "mean field error".
    Gould T
    J Chem Phys; 2023 Nov; 159(20):. PubMed ID: 38018751
    [TBL] [Abstract][Full Text] [Related]  

  • 13. How close are the Slater and Becke-Roussel potentials in solids?
    Tran F; Blaha P; Schwarz K
    J Chem Theory Comput; 2015 Oct; 11(10):4717-26. PubMed ID: 26500460
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Benchmarking the AK13 Exchange Functional: Ionization Potentials and Electron Affinities.
    Cerqueira TF; Oliveira MJ; Marques MA
    J Chem Theory Comput; 2014 Dec; 10(12):5625-9. PubMed ID: 26583245
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. Efficient and improved prediction of the band offsets at semiconductor heterojunctions from meta-GGA density functionals: A benchmark study.
    Ghosh A; Jana S; Rauch T; Tran F; Marques MAL; Botti S; Constantin LA; Niranjan MK; Samal P
    J Chem Phys; 2022 Sep; 157(12):124108. PubMed ID: 36182416
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Density functional study of double ionization energies.
    Chong DP
    J Chem Phys; 2008 Feb; 128(8):084112. PubMed ID: 18315038
    [TBL] [Abstract][Full Text] [Related]  

  • 18. On the performance of local, semilocal, and nonlocal exchange-correlation functionals on transition metal molecules.
    Ramírez-Solís A
    J Chem Phys; 2007 Jun; 126(22):224105. PubMed ID: 17581042
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Generalized gradient approximation exchange energy functional with correct asymptotic behavior of the corresponding potential.
    Carmona-Espíndola J; Gázquez JL; Vela A; Trickey SB
    J Chem Phys; 2015 Feb; 142(5):054105. PubMed ID: 25662634
    [TBL] [Abstract][Full Text] [Related]  

  • 20.
    ; ; . PubMed ID:
    [No Abstract]   [Full Text] [Related]  

    [Next]    [New Search]
    of 2.