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 *

169 related articles for article (PubMed ID: 29960373)

  • 21. Accelerating the convergence of the total energy evaluation in density functional theory calculations.
    Zhou B; Wang YA
    J Chem Phys; 2008 Feb; 128(8):084101. PubMed ID: 18315027
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Optimizing a parametrized Thomas-Fermi-Dirac-Weizsäcker density functional for atoms.
    Espinosa Leal LA; Karpenko A; Caro MA; Lopez-Acevedo O
    Phys Chem Chem Phys; 2015 Dec; 17(47):31463-71. PubMed ID: 25960416
    [TBL] [Abstract][Full Text] [Related]  

  • 23. 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]  

  • 24. Fully nonlocal kinetic energy density functionals: a proposal and a general assessment for atomic systems.
    García-Aldea D; Alvarellos JE
    J Chem Phys; 2008 Aug; 129(7):074103. PubMed ID: 19044756
    [TBL] [Abstract][Full Text] [Related]  

  • 25. The Kohn-Sham kinetic energy density as indicator of the electron localization: atomic shell structure.
    Navarrete-López AM; Garza J; Vargas R
    J Chem Phys; 2008 Mar; 128(10):104110. PubMed ID: 18345880
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Testing Noncollinear Spin-Flip, Collinear Spin-Flip, and Conventional Time-Dependent Density Functional Theory for Predicting Electronic Excitation Energies of Closed-Shell Atoms.
    Xu X; Yang KR; Truhlar DG
    J Chem Theory Comput; 2014 May; 10(5):2070-84. PubMed ID: 26580534
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Tight-binding density functional theory: an approximate Kohn-Sham DFT scheme.
    Seifert G
    J Phys Chem A; 2007 Jul; 111(26):5609-13. PubMed ID: 17439198
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Second-order Kohn-Sham perturbation theory: correlation potential for atoms in a cavity.
    Jiang H; Engel E
    J Chem Phys; 2005 Dec; 123(22):224102. PubMed ID: 16375465
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Variational principle to regularize machine-learned density functionals: The non-interacting kinetic-energy functional.
    Mazo-Sevillano PD; Hermann J
    J Chem Phys; 2023 Nov; 159(19):. PubMed ID: 37971033
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Erratum: "Semi-local machine-learned kinetic energy density functional with third-order gradients of electron density" [J. Chem. Phys. 148, 241705 (2018)].
    Seino J; Kageyama R; Fujinami M; Ikabata Y; Nakai H
    J Chem Phys; 2018 Aug; 149(7):079901. PubMed ID: 30134665
    [No Abstract]   [Full Text] [Related]  

  • 31. Toward Orbital-Free Density Functional Theory with Small Data Sets and Deep Learning.
    Ryczko K; Wetzel SJ; Melko RG; Tamblyn I
    J Chem Theory Comput; 2022 Feb; 18(2):1122-1128. PubMed ID: 34995061
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Density Scaling of Noninteracting Kinetic Energy Functionals.
    Borgoo A; Tozer DJ
    J Chem Theory Comput; 2013 May; 9(5):2250-5. PubMed ID: 26583718
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Implementation of Molecular Gradients for Local Hybrid Density Functionals Using Seminumerical Integration Techniques.
    Klawohn S; Bahmann H; Kaupp M
    J Chem Theory Comput; 2016 Sep; 12(9):4254-62. PubMed ID: 27434098
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Transferable local pseudopotentials for magnesium, aluminum and silicon.
    Huang C; Carter EA
    Phys Chem Chem Phys; 2008 Dec; 10(47):7109-20. PubMed ID: 19039345
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Comparing ab initio density-functional and wave function theories: the impact of correlation on the electronic density and the role of the correlation potential.
    Grabowski I; Teale AM; Śmiga S; Bartlett RJ
    J Chem Phys; 2011 Sep; 135(11):114111. PubMed ID: 21950854
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Do Practical Standard Coupled Cluster Calculations Agree Better than Kohn-Sham Calculations with Currently Available Functionals When Compared to the Best Available Experimental Data for Dissociation Energies of Bonds to 3d Transition Metals?
    Xu X; Zhang W; Tang M; Truhlar DG
    J Chem Theory Comput; 2015 May; 11(5):2036-52. PubMed ID: 26574408
    [TBL] [Abstract][Full Text] [Related]  

  • 37. 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]  

  • 38. Visualization and analysis of the Kohn-Sham kinetic energy density and its orbital-free description in molecules.
    Cancio AC; Stewart D; Kuna A
    J Chem Phys; 2016 Feb; 144(8):084107. PubMed ID: 26931681
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Restoration of the derivative discontinuity in Kohn-Sham density functional theory: an efficient scheme for energy gap correction.
    Chai JD; Chen PT
    Phys Rev Lett; 2013 Jan; 110(3):033002. PubMed ID: 23373919
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Physical Meaning of Virtual Kohn-Sham Orbitals and Orbital Energies: An Ideal Basis for the Description of Molecular Excitations.
    van Meer R; Gritsenko OV; Baerends EJ
    J Chem Theory Comput; 2014 Oct; 10(10):4432-41. PubMed ID: 26588140
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 9.