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 *

107 related articles for article (PubMed ID: 26593207)

  • 1. Transition State Search Using a Guided Direct Inversion in the Iterative Subspace Method.
    May JW; Lehner JD; Frisch MJ; Li X
    J Chem Theory Comput; 2012 Dec; 8(12):5175-9. PubMed ID: 26593207
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Energy-Represented Direct Inversion in the Iterative Subspace within a Hybrid Geometry Optimization Method.
    Li X; Frisch MJ
    J Chem Theory Comput; 2006 May; 2(3):835-9. PubMed ID: 26626690
    [TBL] [Abstract][Full Text] [Related]  

  • 3. The trust-region self-consistent field method in Kohn-Sham density-functional theory.
    Thøgersen L; Olsen J; Köhn A; Jørgensen P; Sałek P; Helgaker T
    J Chem Phys; 2005 Aug; 123(7):074103. PubMed ID: 16229555
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Krylov subspace accelerated inexact Newton method for linear and nonlinear equations.
    Harrison RJ
    J Comput Chem; 2004 Feb; 25(3):328-34. PubMed ID: 14696068
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Linear-scaling implementation of molecular electronic self-consistent field theory.
    Sałek P; Høst S; Thøgersen L; Jørgensen P; Manninen P; Olsen J; Jansík B; Reine S; Pawłowski F; Tellgren E; Helgaker T; Coriani S
    J Chem Phys; 2007 Mar; 126(11):114110. PubMed ID: 17381199
    [TBL] [Abstract][Full Text] [Related]  

  • 6. A diagonalization-free optimization algorithm for solving Kohn-Sham equations of closed-shell molecules.
    Mrovec M; Berger JA
    J Comput Chem; 2021 Mar; 42(7):492-504. PubMed ID: 33347643
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 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]  

  • 8. A MinMax self-consistent-field approach for auxiliary density functional theory.
    Köster AM; Del Campo JM; Janetzko F; Zuniga-Gutierrez B
    J Chem Phys; 2009 Mar; 130(11):114106. PubMed ID: 19317530
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Accelerating self-consistent field convergence with the augmented Roothaan-Hall energy function.
    Hu X; Yang W
    J Chem Phys; 2010 Feb; 132(5):054109. PubMed ID: 20136307
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Iterative subspace algorithms for finite-temperature solution of Dyson equation.
    Pokhilko P; Yeh CN; Zgid D
    J Chem Phys; 2022 Mar; 156(9):094101. PubMed ID: 35259903
    [TBL] [Abstract][Full Text] [Related]  

  • 11. A Story of Three Levels of Sophistication in SCF/KS-DFT Orbital Optimization Procedures.
    Sethio D; Azzopardi E; Fdez Galván I; Lindh R
    J Phys Chem A; 2024 Mar; 128(12):2472-2486. PubMed ID: 38483190
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Q-Next: A Fast, Parallel, and Diagonalization-Free Alternative to Direct Inversion of the Iterative Subspace.
    Seidl C; Barca GMJ
    J Chem Theory Comput; 2022 Jul; 18(7):4164-4176. PubMed ID: 35748512
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Solving Coupled Cluster Equations by the Newton Krylov Method.
    Yang C; Brabec J; Veis L; Williams-Young DB; Kowalski K
    Front Chem; 2020; 8():590184. PubMed ID: 33363108
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Economical quasi-Newton unitary optimization of electronic orbitals.
    Slattery SA; Surjuse KA; Peterson CC; Penchoff DA; Valeev EF
    Phys Chem Chem Phys; 2024 Feb; 26(8):6557-6573. PubMed ID: 38329140
    [TBL] [Abstract][Full Text] [Related]  

  • 15. A Least-Squares Commutator in the Iterative Subspace Method for Accelerating Self-Consistent Field Convergence.
    Li H; Yaron DJ
    J Chem Theory Comput; 2016 Nov; 12(11):5322-5332. PubMed ID: 27709930
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Direct inversion of the iterative subspace with contracted planewave basis functions.
    Stuart DW; Mosey NJ
    J Comput Chem; 2018 Sep; 39(23):1890-1901. PubMed ID: 30247768
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Communication: Linear-expansion shooting techniques for accelerating self-consistent field convergence.
    Wang YA; Yam CY; Chen YK; Chen G
    J Chem Phys; 2011 Jun; 134(24):241103. PubMed ID: 21721605
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Discarding Information from Previous Iterations in an Optimal Way To Solve the Coupled Cluster Amplitude Equations.
    Ettenhuber P; Jørgensen P
    J Chem Theory Comput; 2015 Apr; 11(4):1518-24. PubMed ID: 26574363
    [TBL] [Abstract][Full Text] [Related]  

  • 19. An improved DIIS method using a versatile residual matrix to accelerate SCF starting from a crude guess.
    Hu L; Sarwono YP; Ding Y; He F; Zhang RQ
    J Comput Chem; 2024 Jul; ():. PubMed ID: 38979915
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Accelerating the weighted histogram analysis method by direct inversion in the iterative subspace.
    Zhang C; Lai CL; Pettitt BM
    Mol Simul; 2016; 42(13):1079-1089. PubMed ID: 27453632
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.