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 *

324 related articles for article (PubMed ID: 26596156)

  • 1. Kohn-Sham Density Functional Theory Electronic Structure Calculations with Linearly Scaling Computational Time and Memory Usage.
    Rudberg E; Rubensson EH; Sałek P
    J Chem Theory Comput; 2011 Feb; 7(2):340-50. PubMed ID: 26596156
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Hartree-Fock calculations with linearly scaling memory usage.
    Rudberg E; Rubensson EH; Sałek P
    J Chem Phys; 2008 May; 128(18):184106. PubMed ID: 18532798
    [TBL] [Abstract][Full Text] [Related]  

  • 3. A density matrix-based method for the linear-scaling calculation of dynamic second- and third-order properties at the Hartree-Fock and Kohn-Sham density functional theory levels.
    Kussmann J; Ochsenfeld C
    J Chem Phys; 2007 Nov; 127(20):204103. PubMed ID: 18052415
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Approximating the Shifted Hartree-Exchange-Correlation Potential in Direct Energy Kohn-Sham Theory.
    Sharpe DJ; Levy M; Tozer DJ
    J Chem Theory Comput; 2018 Feb; 14(2):684-692. PubMed ID: 29298061
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Linear-scaling implementation of molecular response theory in self-consistent field electronic-structure theory.
    Coriani S; Høst S; Jansík B; Thøgersen L; Olsen J; Jørgensen P; Reine S; Pawłowski F; Helgaker T; Sałek P
    J Chem Phys; 2007 Apr; 126(15):154108. PubMed ID: 17461615
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Daubechies wavelets for linear scaling density functional theory.
    Mohr S; Ratcliff LE; Boulanger P; Genovese L; Caliste D; Deutsch T; Goedecker S
    J Chem Phys; 2014 May; 140(20):204110. PubMed ID: 24880269
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Density functional theory for molecular and periodic systems using density fitting and continuous fast multipole method: Analytical gradients.
    Łazarski R; Burow AM; Grajciar L; Sierka M
    J Comput Chem; 2016 Oct; 37(28):2518-26. PubMed ID: 27555218
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Compressed Representation of Kohn-Sham Orbitals via Selected Columns of the Density Matrix.
    Damle A; Lin L; Ying L
    J Chem Theory Comput; 2015 Apr; 11(4):1463-9. PubMed ID: 26574357
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Projected Commutator DIIS Method for Accelerating Hybrid Functional Electronic Structure Calculations.
    Hu W; Lin L; Yang C
    J Chem Theory Comput; 2017 Nov; 13(11):5458-5467. PubMed ID: 28937762
    [TBL] [Abstract][Full Text] [Related]  

  • 10. The limitations of Slater's element-dependent exchange functional from analytic density-functional theory.
    Zope RR; Dunlap BI
    J Chem Phys; 2006 Jan; 124(4):044107. PubMed ID: 16460149
    [TBL] [Abstract][Full Text] [Related]  

  • 11. First-order nonadiabatic couplings from time-dependent hybrid density functional response theory: Consistent formalism, implementation, and performance.
    Send R; Furche F
    J Chem Phys; 2010 Jan; 132(4):044107. PubMed ID: 20113019
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Accuracy of Lagrange-sinc functions as a basis set for electronic structure calculations of atoms and molecules.
    Choi S; Hong K; Kim J; Kim WY
    J Chem Phys; 2015 Mar; 142(9):094116. PubMed ID: 25747070
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Difficulties in applying pure Kohn-Sham density functional theory electronic structure methods to protein molecules.
    Rudberg E
    J Phys Condens Matter; 2012 Feb; 24(7):072202. PubMed ID: 22223667
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Computation of indirect nuclear spin-spin couplings with reduced complexity in pure and hybrid density functional approximations.
    Luenser A; Kussmann J; Ochsenfeld C
    J Chem Phys; 2016 Sep; 145(12):124103. PubMed ID: 27782636
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Linear-scaling time-dependent density-functional theory in the linear response formalism.
    Zuehlsdorff TJ; Hine ND; Spencer JS; Harrison NM; Riley DJ; Haynes PD
    J Chem Phys; 2013 Aug; 139(6):064104. PubMed ID: 23947840
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Accelerating atomic orbital-based electronic structure calculation via pole expansion and selected inversion.
    Lin L; Chen M; Yang C; He L
    J Phys Condens Matter; 2013 Jul; 25(29):295501. PubMed ID: 23803312
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Parallel Implementation of Large-Scale Linear Scaling Density Functional Theory Calculations With Numerical Atomic Orbitals in HONPAS.
    Luo Z; Qin X; Wan L; Hu W; Yang J
    Front Chem; 2020; 8():589910. PubMed ID: 33324611
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Analytical evaluation of Fukui functions and real-space linear response function.
    Yang W; Cohen AJ; De Proft F; Geerlings P
    J Chem Phys; 2012 Apr; 136(14):144110. PubMed ID: 22502504
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Efficient time-dependent density functional theory approximations for hybrid density functionals: analytical gradients and parallelization.
    Petrenko T; Kossmann S; Neese F
    J Chem Phys; 2011 Feb; 134(5):054116. PubMed ID: 21303101
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Resolution of identity approach for the Kohn-Sham correlation energy within the exact-exchange random-phase approximation.
    Bleiziffer P; Hesselmann A; Görling A
    J Chem Phys; 2012 Apr; 136(13):134102. PubMed ID: 22482535
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 17.