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 *

150 related articles for article (PubMed ID: 31490684)

  • 1. Self-Consistent Density-Functional Embedding: A Novel Approach for Density-Functional Approximations.
    Mordovina U; Reinhard TE; Theophilou I; Appel H; Rubio A
    J Chem Theory Comput; 2019 Oct; 15(10):5209-5220. PubMed ID: 31490684
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Some Fundamental Issues in Ground-State Density Functional Theory: A Guide for the Perplexed.
    Perdew JP; Ruzsinszky A; Constantin LA; Sun J; Csonka GI
    J Chem Theory Comput; 2009 Apr; 5(4):902-8. PubMed ID: 26609599
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Reliable Isotropic Electron-Paramagnetic-Resonance Hyperfine Coupling Constants from the Frozen-Density Embedding Quasi-Diabatization Approach.
    Eschenbach P; Artiukhin DG; Neugebauer J
    J Phys Chem A; 2022 Nov; 126(44):8358-8368. PubMed ID: 36287581
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Projection-Based Wavefunction-in-DFT Embedding.
    Lee SJR; Welborn M; Manby FR; Miller TF
    Acc Chem Res; 2019 May; 52(5):1359-1368. PubMed ID: 30969117
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Kohn-Sham potentials from electron densities using a matrix representation within finite atomic orbital basis sets.
    Zhang X; Carter EA
    J Chem Phys; 2018 Jan; 148(3):034105. PubMed ID: 29352791
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Numerically stable inversion approach to construct Kohn-Sham potentials for given electron densities within a Gaussian basis set framework.
    Erhard J; Trushin E; Görling A
    J Chem Phys; 2022 May; 156(20):204124. PubMed ID: 35649824
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Exact nonadditive kinetic potentials for embedded density functional theory.
    Goodpaster JD; Ananth N; Manby FR; Miller TF
    J Chem Phys; 2010 Aug; 133(8):084103. PubMed ID: 20815556
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Optimized unrestricted Kohn-Sham potentials from ab initio spin densities.
    Boguslawski K; Jacob CR; Reiher M
    J Chem Phys; 2013 Jan; 138(4):044111. PubMed ID: 23387572
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Localized exchange-correlation potential from second-order self-energy for accurate Kohn-Sham energy gap.
    Fabiano E; Della Sala F
    J Chem Phys; 2007 Jun; 126(21):214102. PubMed ID: 17567185
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Benchmarking Electron Densities and Electrostatic Potentials of Proteins from the Three-Partition Frozen Density Embedding Method.
    Goez A; Neugebauer J
    J Chem Theory Comput; 2016 Oct; 12(10):4843-4855. PubMed ID: 27667289
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Topological analysis of electron densities from Kohn-Sham and subsystem density functional theory.
    Kiewisch K; Eickerling G; Reiher M; Neugebauer J
    J Chem Phys; 2008 Jan; 128(4):044114. PubMed ID: 18247937
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Adiabatic projection: Bridging ab initio, density functional, semiempirical, and embedding approximations.
    Janesko BG
    J Chem Phys; 2022 Jan; 156(1):014111. PubMed ID: 34998337
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Density Functional Partition Theory with Fractional Occupations.
    Elliott P; Cohen MH; Wasserman A; Burke K
    J Chem Theory Comput; 2009 Apr; 5(4):827-33. PubMed ID: 26609589
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Spherical vs non-spherical and symmetry-preserving vs symmetry-breaking densities of open-shell atoms in density functional theory.
    Chowdhury STUR; Perdew JP
    J Chem Phys; 2021 Dec; 155(23):234110. PubMed ID: 34937366
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Embedded correlated wavefunction schemes: theory and applications.
    Libisch F; Huang C; Carter EA
    Acc Chem Res; 2014 Sep; 47(9):2768-75. PubMed ID: 24873211
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Improved electronic excitation energies from shape-corrected semilocal Kohn-Sham potentials.
    Gaiduk AP; Firaha DS; Staroverov VN
    Phys Rev Lett; 2012 Jun; 108(25):253005. PubMed ID: 23004596
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Orbital-free embedding applied to the calculation of induced dipole moments in CO2...X (X = He, Ne, Ar, Kr, Xe, Hg) van der Waals complexes.
    Jacob CR; Wesolowski TA; Visscher L
    J Chem Phys; 2005 Nov; 123(17):174104. PubMed ID: 16375514
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Kinetic-Energy Density-Functional Theory on a Lattice.
    Theophilou I; Buchholz F; Eich FG; Ruggenthaler M; Rubio A
    J Chem Theory Comput; 2018 Aug; 14(8):4072-4087. PubMed ID: 29969552
    [TBL] [Abstract][Full Text] [Related]  

  • 19. 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]  

  • 20. Effective local potentials for density and density-matrix functional approximations with non-negative screening density.
    Pitts TC; Bousiadi S; Gidopoulos NI; Lathiotakis NN
    J Chem Phys; 2023 May; 158(18):. PubMed ID: 37154280
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.