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 *

179 related articles for article (PubMed ID: 24531751)

  • 1. Piecewise linearity and spectroscopic properties from Koopmans-compliant functionals.
    Dabo I; Ferretti A; Marzari N
    Top Curr Chem; 2014; 347():193-233. PubMed ID: 24531751
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. Piecewise linearity of approximate density functionals revisited: implications for frontier orbital energies.
    Kraisler E; Kronik L
    Phys Rev Lett; 2013 Mar; 110(12):126403. PubMed ID: 25166825
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Koopmans-Compliant Functionals and Potentials and Their Application to the GW100 Test Set.
    Colonna N; Nguyen NL; Ferretti A; Marzari N
    J Chem Theory Comput; 2019 Mar; 15(3):1905-1914. PubMed ID: 30640457
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Deviations from piecewise linearity in the solid-state limit with approximate density functionals.
    Vlček V; Eisenberg HR; Steinle-Neumann G; Kronik L; Baer R
    J Chem Phys; 2015 Jan; 142(3):034107. PubMed ID: 25612689
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Curvature and Frontier Orbital Energies in Density Functional Theory.
    Stein T; Autschbach J; Govind N; Kronik L; Baer R
    J Phys Chem Lett; 2012 Dec; 3(24):3740-4. PubMed ID: 26291104
    [TBL] [Abstract][Full Text] [Related]  

  • 7. koopmans: An Open-Source Package for Accurately and Efficiently Predicting Spectral Properties with Koopmans Functionals.
    Linscott EB; Colonna N; De Gennaro R; Nguyen NL; Borghi G; Ferretti A; Dabo I; Marzari N
    J Chem Theory Comput; 2023 Oct; 19(20):7097-7111. PubMed ID: 37610300
    [TBL] [Abstract][Full Text] [Related]  

  • 8. On Koopmans' theorem in density functional theory.
    Tsuneda T; Song JW; Suzuki S; Hirao K
    J Chem Phys; 2010 Nov; 133(17):174101. PubMed ID: 21054000
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. First-Principles Photoemission Spectroscopy of DNA and RNA Nucleobases from Koopmans-Compliant Functionals.
    Nguyen NL; Borghi G; Ferretti A; Marzari N
    J Chem Theory Comput; 2016 Aug; 12(8):3948-58. PubMed ID: 27267665
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Screening in Orbital-Density-Dependent Functionals.
    Colonna N; Nguyen NL; Ferretti A; Marzari N
    J Chem Theory Comput; 2018 May; 14(5):2549-2557. PubMed ID: 29494151
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Accurate Electron Affinities and Orbital Energies of Anions from a Nonempirically Tuned Range-Separated Density Functional Theory Approach.
    Anderson LN; Oviedo MB; Wong BM
    J Chem Theory Comput; 2017 Apr; 13(4):1656-1666. PubMed ID: 28339200
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Long-range corrected functionals satisfy Koopmans' theorem: calculation of correlation and relaxation energies.
    Kar R; Song JW; Hirao K
    J Comput Chem; 2013 Apr; 34(11):958-64. PubMed ID: 23299544
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. Properties of the exact universal functional in multicomponent density functional theory.
    Chakraborty A; Pak MV; Hammes-Schiffer S
    J Chem Phys; 2009 Sep; 131(12):124115. PubMed ID: 19791860
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. Excitation energies expressed as orbital energies of Kohn-Sham density functional theory with long-range corrected functionals.
    Hirao K; Chan B; Song JW; Bhattarai K; Tewary S
    J Comput Chem; 2020 May; 41(14):1368-1383. PubMed ID: 32108955
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Fundamental gaps with approximate density functionals: the derivative discontinuity revealed from ensemble considerations.
    Kraisler E; Kronik L
    J Chem Phys; 2014 May; 140(18):18A540. PubMed ID: 24832348
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Assessment of Tuning Methods for Enforcing Approximate Energy Linearity in Range-Separated Hybrid Functionals.
    Gledhill JD; Peach MJ; Tozer DJ
    J Chem Theory Comput; 2013 Oct; 9(10):4414-20. PubMed ID: 26589158
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Exact expressions for ensemble functionals from particle number dependence.
    Joubert DP
    J Chem Phys; 2012 May; 136(17):174113. PubMed ID: 22583216
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.