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 *

164 related articles for article (PubMed ID: 26609998)

  • 1. Fully Numerical All-Electron Solutions of the Optimized Effective Potential Equation for Diatomic Molecules.
    Makmal A; Kümmel S; Kronik L
    J Chem Theory Comput; 2009 Jul; 5(7):1731-40. PubMed ID: 26609998
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Locally Refined Multigrid Solution of the All-Electron Kohn-Sham Equation.
    Cohen O; Kronik L; Brandt A
    J Chem Theory Comput; 2013 Nov; 9(11):4744-60. PubMed ID: 26583393
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Fully Numerical All-Electron Solutions of the Optimized Effective Potential Equation for Diatomic Molecules.
    Makmal A; Kümmel S; Kronik L
    J Chem Theory Comput; 2011 Aug; 7(8):2665. PubMed ID: 26606639
    [No Abstract]   [Full Text] [Related]  

  • 4. Self-interaction correction in a real-time Kohn-Sham scheme: access to difficult excitations in time-dependent density functional theory.
    Hofmann D; Kümmel S
    J Chem Phys; 2012 Aug; 137(6):064117. PubMed ID: 22897265
    [TBL] [Abstract][Full Text] [Related]  

  • 5. On the Efficiency of Algorithms for Solving Hartree-Fock and Kohn-Sham Response Equations.
    Kauczor J; Jørgensen P; Norman P
    J Chem Theory Comput; 2011 Jun; 7(6):1610-30. PubMed ID: 26596429
    [TBL] [Abstract][Full Text] [Related]  

  • 6. A finite B-spline basis set for accurate diatomic molecule calculations.
    Artemyev AN; Ludeña EV; Karasiev VV; Hernández AJ
    J Comput Chem; 2004 Feb; 25(3):368-74. PubMed ID: 14696071
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Efficient method for simulating quantum electron dynamics under the time-dependent Kohn-Sham equation.
    Watanabe N; Tsukada M
    Phys Rev E Stat Nonlin Soft Matter Phys; 2002 Mar; 65(3 Pt 2B):036705. PubMed ID: 11909305
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Computational method for general multicenter electronic structure calculations.
    Batcho PF
    Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics; 2000 Jun; 61(6 Pt B):7169-83. PubMed ID: 11088414
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Density Functional Static Dipole Polarizability and First-Hyperpolarizability Calculations of Nan (n = 2, 4, 6, 8) Clusters Using an Approximate CPKS Method and its Comparison with MP2 Calculations.
    Sophy KB; Calaminici P; Pal S
    J Chem Theory Comput; 2007 May; 3(3):716-27. PubMed ID: 26627389
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Hierarchy of model Kohn-Sham potentials for orbital-dependent functionals: a practical alternative to the optimized effective potential method.
    Kohut SV; Ryabinkin IG; Staroverov VN
    J Chem Phys; 2014 May; 140(18):18A535. PubMed ID: 24832343
    [TBL] [Abstract][Full Text] [Related]  

  • 11. The static response function in Kohn-Sham theory: an appropriate basis for its matrix representation in case of finite AO basis sets.
    Kollmar C; Neese F
    J Chem Phys; 2014 Oct; 141(13):134106. PubMed ID: 25296783
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Analytic energy gradients of the optimized effective potential method.
    Wu Q; Cohen AJ; Yang W
    J Chem Phys; 2005 Oct; 123(13):134111. PubMed ID: 16223279
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Ab initio electronic structure calculations using a real-space Chebyshev-filtered subspace iteration method.
    Xu Q; Wang S; Xue L; Shao X; Gao P; Lv J; Wang Y; Ma Y
    J Phys Condens Matter; 2019 Nov; 31(45):455901. PubMed ID: 31207590
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Kohn-Sham approach to quantum electrodynamical density-functional theory: Exact time-dependent effective potentials in real space.
    Flick J; Ruggenthaler M; Appel H; Rubio A
    Proc Natl Acad Sci U S A; 2015 Dec; 112(50):15285-90. PubMed ID: 26627715
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Machine Learning Optimization of the Collocation Point Set for Solving the Kohn-Sham Equation.
    Ku J; Kamath A; Carrington T; Manzhos S
    J Phys Chem A; 2019 Dec; 123(49):10631-10642. PubMed ID: 31724862
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Numerical technique and computational procedure for isotachophoresis.
    Palusinski OA; Su Y; Fife PC
    Electrophoresis; 1990 Nov; 11(11):903-7. PubMed ID: 2079035
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Density-functional theory with effective potential expressed as a direct mapping of the external potential: applications to atomization energies and ionization potentials.
    Glushkov VN; Fesenko SI
    J Chem Phys; 2006 Dec; 125(23):234111. PubMed ID: 17190551
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Real-space representation of electron correlation in π-conjugated systems.
    Wang J; Baerends EJ
    J Chem Phys; 2015 May; 142(20):204311. PubMed ID: 26026451
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Discovery of a general method of solving the Schrödinger and dirac equations that opens a way to accurately predictive quantum chemistry.
    Nakatsuji H
    Acc Chem Res; 2012 Sep; 45(9):1480-90. PubMed ID: 22686372
    [TBL] [Abstract][Full Text] [Related]  

  • 20. The Calculation of NMR Chemical Shifts in Periodic Systems Based on Gauge Including Atomic Orbitals and Density Functional Theory.
    Skachkov D; Krykunov M; Kadantsev E; Ziegler T
    J Chem Theory Comput; 2010 May; 6(5):1650-9. PubMed ID: 26615697
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.