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 *

238 related articles for article (PubMed ID: 26589026)

  • 1. The GW-Method for Quantum Chemistry Applications: Theory and Implementation.
    van Setten MJ; Weigend F; Evers F
    J Chem Theory Comput; 2013 Jan; 9(1):232-46. PubMed ID: 26589026
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Off-Diagonal Self-Energy Terms and Partially Self-Consistency in GW Calculations for Single Molecules: Efficient Implementation and Quantitative Effects on Ionization Potentials.
    Kaplan F; Weigend F; Evers F; van Setten MJ
    J Chem Theory Comput; 2015 Nov; 11(11):5152-60. PubMed ID: 26574312
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Quasi-Particle Self-Consistent GW for Molecules.
    Kaplan F; Harding ME; Seiler C; Weigend F; Evers F; van Setten MJ
    J Chem Theory Comput; 2016 Jun; 12(6):2528-41. PubMed ID: 27168352
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Electronic and optical properties of pure and modified diamondoids studied by many-body perturbation theory and time-dependent density functional theory.
    Demján T; Vörös M; Palummo M; Gali A
    J Chem Phys; 2014 Aug; 141(6):064308. PubMed ID: 25134572
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Structural and electronic properties of ZrX2)and HfX2 (X=S and Se) from first principles calculations.
    Jiang H
    J Chem Phys; 2011 May; 134(20):204705. PubMed ID: 21639465
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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]  

  • 7. Comparison of DFT methods for molecular orbital eigenvalue calculations.
    Zhang G; Musgrave CB
    J Phys Chem A; 2007 Mar; 111(8):1554-61. PubMed ID: 17279730
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Increasing the applicability of density functional theory. III. Do consistent Kohn-Sham density functional methods exist?
    Verma P; Bartlett RJ
    J Chem Phys; 2012 Oct; 137(13):134102. PubMed ID: 23039580
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Tests of Exchange-Correlation Functional Approximations Against Reliable Experimental Data for Average Bond Energies of 3d Transition Metal Compounds.
    Zhang W; Truhlar DG; Tang M
    J Chem Theory Comput; 2013 Sep; 9(9):3965-77. PubMed ID: 26592392
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Recommendation of Orbitals for
    Zhang L; Shu Y; Xing C; Chen X; Sun S; Huang Y; Truhlar DG
    J Chem Theory Comput; 2022 Jun; 18(6):3523-3537. PubMed ID: 35580263
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Kohn-Sham band gaps and potentials of solids from the optimised effective potential method within the random phase approximation.
    Klimeš J; Kresse G
    J Chem Phys; 2014 Feb; 140(5):054516. PubMed ID: 24511961
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Accurate Valence Ionization Energies from Kohn-Sham Eigenvalues with the Help of Potential Adjustors.
    Thierbach A; Neiss C; Gallandi L; Marom N; Körzdörfer T; Görling A
    J Chem Theory Comput; 2017 Oct; 13(10):4726-4740. PubMed ID: 28783360
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Ionization energy of atoms obtained from GW self-energy or from random phase approximation total energies.
    Bruneval F
    J Chem Phys; 2012 May; 136(19):194107. PubMed ID: 22612080
    [TBL] [Abstract][Full Text] [Related]  

  • 14. A self-interaction-free local hybrid functional: accurate binding energies vis-à-vis accurate ionization potentials from Kohn-Sham eigenvalues.
    Schmidt T; Kraisler E; Makmal A; Kronik L; Kümmel S
    J Chem Phys; 2014 May; 140(18):18A510. PubMed ID: 24832318
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Two-Component
    Förster A; van Lenthe E; Spadetto E; Visscher L
    J Chem Theory Comput; 2023 Sep; 19(17):5958-5976. PubMed ID: 37594901
    [TBL] [Abstract][Full Text] [Related]  

  • 16. The Devil's Triangle of Kohn-Sham density functional theory and excited states.
    Mendes RA; Haiduke RLA; Bartlett RJ
    J Chem Phys; 2021 Feb; 154(7):074106. PubMed ID: 33607901
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Embedded Cluster Density Approximation for Exchange-Correlation Energy: A Natural Extension of the Local Density Approximation.
    Huang C
    J Chem Theory Comput; 2018 Dec; 14(12):6211-6225. PubMed ID: 30380864
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules III: A Benchmark of GW Methods.
    Knight JW; Wang X; Gallandi L; Dolgounitcheva O; Ren X; Ortiz JV; Rinke P; Körzdörfer T; Marom N
    J Chem Theory Comput; 2016 Feb; 12(2):615-26. PubMed ID: 26731609
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Double-hybrid density functional theory for excited electronic states of molecules.
    Grimme S; Neese F
    J Chem Phys; 2007 Oct; 127(15):154116. PubMed ID: 17949141
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Density differences in embedding theory with external orbital orthogonality.
    Tamukong PK; Khait YG; Hoffmann MR
    J Phys Chem A; 2014 Oct; 118(39):9182-200. PubMed ID: 25084344
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 12.