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 *

108 related articles for article (PubMed ID: 9980572)

  • 1. Canonical orbitals of the self-interaction-corrected local-spin-density approximation in doped systems.
    Kobayashi S; Arai M; Fujiwara T
    Phys Rev B Condens Matter; 1995 Nov; 52(19):13718-13721. PubMed ID: 9980572
    [No Abstract]   [Full Text] [Related]  

  • 2. Communication: self-interaction correction with unitary invariance in density functional theory.
    Pederson MR; Ruzsinszky A; Perdew JP
    J Chem Phys; 2014 Mar; 140(12):121103. PubMed ID: 24697415
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Self-interaction corrections applied to Mg-porphyrin, C60, and pentacene molecules.
    Pederson MR; Baruah T; Kao DY; Basurto L
    J Chem Phys; 2016 Apr; 144(16):164117. PubMed ID: 27131541
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Shrinking Self-Interaction Errors with the Fermi-Löwdin Orbital Self-Interaction-Corrected Density Functional Approximation.
    Sharkas K; Li L; Trepte K; Withanage KPK; Joshi RP; Zope RR; Baruah T; Johnson JK; Jackson KA; Peralta JE
    J Phys Chem A; 2018 Dec; 122(48):9307-9315. PubMed ID: 30412407
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Local-density approximation for orbital densities applied to the self-interaction correction.
    Umezawa N
    J Chem Phys; 2008 Jan; 128(4):044105. PubMed ID: 18247928
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Spin-multiplet electronic transition energies in NaF:Cu+ by the self-interaction-corrected local-spin-density approximation.
    Erwin SC; Lin CC
    Phys Rev B Condens Matter; 1989 Jul; 40(3):1892-1900. PubMed ID: 9992051
    [No Abstract]   [Full Text] [Related]  

  • 7. Variational, Self-Consistent Implementation of the Perdew-Zunger Self-Interaction Correction with Complex Optimal Orbitals.
    Lehtola S; Jónsson H
    J Chem Theory Comput; 2014 Dec; 10(12):5324-37. PubMed ID: 26583216
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Many-electron self-interaction and spin polarization errors in local hybrid density functionals.
    Haunschild R; Henderson TM; Jiménez-Hoyos CA; Scuseria GE
    J Chem Phys; 2010 Oct; 133(13):134116. PubMed ID: 20942532
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Electronic structure of cerium in the self-interaction-corrected local-spin-density approximation.
    Svane A
    Phys Rev B Condens Matter; 1996 Feb; 53(8):4275-4286. PubMed ID: 9983980
    [No Abstract]   [Full Text] [Related]  

  • 10. Electronic structure of cerium in the self-interaction corrected local spin density approximation.
    Svane A
    Phys Rev Lett; 1994 Feb; 72(8):1248-1251. PubMed ID: 10056660
    [No Abstract]   [Full Text] [Related]  

  • 11. Metallic state of the free-electron gas within the self-interaction-corrected local-spin-density approximation.
    Pederson MR; Heaton RA; Harrison JG
    Phys Rev B Condens Matter; 1989 Jan; 39(3):1581-1586. PubMed ID: 9948371
    [No Abstract]   [Full Text] [Related]  

  • 12. Electronic structures of transition-metal mono-oxides in the self-interaction-corrected local-spin-density approximation.
    Arai M; Fujiwara T
    Phys Rev B Condens Matter; 1995 Jan; 51(3):1477-1489. PubMed ID: 9978861
    [No Abstract]   [Full Text] [Related]  

  • 13. Condensed-to-atoms electronic Fukui functions within the framework of spin-polarized density-functional theory.
    Chamorro E; Pérez P
    J Chem Phys; 2005 Sep; 123(11):114107. PubMed ID: 16392551
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Perdew-Zunger self-interaction correction: How wrong for uniform densities and large-Z atoms?
    Santra B; Perdew JP
    J Chem Phys; 2019 May; 150(17):174106. PubMed ID: 31067900
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Relativistic all-electron two-component self-consistent density functional calculations including one-electron scalar and spin-orbit effects.
    Peralta JE; Scuseria GE
    J Chem Phys; 2004 Apr; 120(13):5875-81. PubMed ID: 15267469
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Fermi orbital derivatives in self-interaction corrected density functional theory: Applications to closed shell atoms.
    Pederson MR
    J Chem Phys; 2015 Feb; 142(6):064112. PubMed ID: 25681892
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Orbitals from local RDMFT: Are they Kohn-Sham or natural orbitals?
    Theophilou I; Lathiotakis NN; Gidopoulos NI; Rubio A; Helbig N
    J Chem Phys; 2015 Aug; 143(5):054106. PubMed ID: 26254641
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Self-consistent self-interaction corrected density functional theory calculations for atoms using Fermi-Löwdin orbitals: Optimized Fermi-orbital descriptors for Li-Kr.
    Kao DY; Withanage K; Hahn T; Batool J; Kortus J; Jackson K
    J Chem Phys; 2017 Oct; 147(16):164107. PubMed ID: 29096512
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Complex Orbitals, Multiple Local Minima, and Symmetry Breaking in Perdew-Zunger Self-Interaction Corrected Density Functional Theory Calculations.
    Lehtola S; Head-Gordon M; Jónsson H
    J Chem Theory Comput; 2016 Jul; 12(7):3195-207. PubMed ID: 27232582
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Ionization potentials and electron affinities in the Perdew-Zunger self-interaction corrected density-functional theory.
    Vydrov OA; Scuseria GE
    J Chem Phys; 2005 May; 122(18):184107. PubMed ID: 15918694
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.