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 *

282 related articles for article (PubMed ID: 25725721)

  • 21. Unconventional Error Cancellation Explains the Success of Hartree-Fock Density Functional Theory for Barrier Heights.
    Kanungo B; Kaplan AD; Shahi C; Gavini V; Perdew JP
    J Phys Chem Lett; 2024 Jan; 15(1):323-328. PubMed ID: 38170179
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Hartree-Fock-Heitler-London method. 2. First and second row diatomic hydrides.
    Corongiu G
    J Phys Chem A; 2006 Oct; 110(40):11584-98. PubMed ID: 17020273
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Dispersion energy evaluated by using locally projected occupied and excited molecular orbitals for molecular interaction.
    Iwata S
    J Chem Phys; 2011 Sep; 135(9):094101. PubMed ID: 21913747
    [TBL] [Abstract][Full Text] [Related]  

  • 24. High-level correlated approach to the jellium surface energy, without uniform-gas input.
    Constantin LA; Pitarke JM; Dobson JF; Garcia-Lekue A; Perdew JP
    Phys Rev Lett; 2008 Jan; 100(3):036401. PubMed ID: 18233011
    [TBL] [Abstract][Full Text] [Related]  

  • 25. The Kohn-Sham gap, the fundamental gap and the optical gap: the physical meaning of occupied and virtual Kohn-Sham orbital energies.
    Baerends EJ; Gritsenko OV; van Meer R
    Phys Chem Chem Phys; 2013 Oct; 15(39):16408-25. PubMed ID: 24002107
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Ground- and excited-state diatomic bond lengths, vibrational levels, and potential-energy curves from conventional and localized Hartree-Fock-based density-functional theory.
    Teale AM; Tozer DJ
    J Chem Phys; 2005 Jan; 122(3):34101. PubMed ID: 15740186
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Real space Hartree-Fock configuration interaction method for complex lateral quantum dot molecules.
    Abolfath RM; Hawrylak P
    J Chem Phys; 2006 Jul; 125(3):34707. PubMed ID: 16863373
    [TBL] [Abstract][Full Text] [Related]  

  • 28. A theoretical study on the electronic structures of TiO2: Effect of Hartree-Fock exchange.
    Zhang YF; Lin W; Li Y; Ding KN; Li JQ
    J Phys Chem B; 2005 Oct; 109(41):19270-7. PubMed ID: 16853489
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Calculation of K-edge circular dichroism of amino acids: comparison of random phase approximation with other methods.
    Kimberg V; Kosugi N
    J Chem Phys; 2007 Jun; 126(24):245101. PubMed ID: 17614589
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Analytical Hessian of electronic excited states in time-dependent density functional theory with Tamm-Dancoff approximation.
    Liu J; Liang W
    J Chem Phys; 2011 Jul; 135(1):014113. PubMed ID: 21744894
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Role of Hartree-Fock and Kohn-Sham orbitals in the basis set superposition error for systems linked by hydrogen bonds.
    Garza J; Ramírez JZ; Vargas R
    J Phys Chem A; 2005 Feb; 109(4):643-51. PubMed ID: 16833391
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Multiresolution quantum chemistry in multiwavelet bases: Hartree-Fock exchange.
    Yanai T; Fann GI; Gan Z; Harrison RJ; Beylkin G
    J Chem Phys; 2004 Oct; 121(14):6680-8. PubMed ID: 15473723
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Ab initio calculation of the electronic structures of the 3Phi ground and 5Phi excited states of CoH.
    Tomonari M; Okuda R; Nagashima U; Tanaka K; Hirano T
    J Chem Phys; 2007 Apr; 126(14):144307. PubMed ID: 17444712
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Multiple Solutions to the Single-Reference CCSD Equations for NiH.
    Mayhall NJ; Raghavachari K
    J Chem Theory Comput; 2010 Sep; 6(9):2714-20. PubMed ID: 26616072
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Toward a muon-specific electronic structure theory: effective electronic Hartree-Fock equations for muonic molecules.
    Rayka M; Goli M; Shahbazian S
    Phys Chem Chem Phys; 2018 Feb; 20(6):4466-4477. PubMed ID: 29372727
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Deformation of the Fermi surface of a spinless two-dimensional electron gas in presence of an anisotropic Coulomb interaction potential.
    Ciftja O
    Sci Rep; 2021 Feb; 11(1):3181. PubMed ID: 33542289
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Optimized effective potentials yielding Hartree-Fock energies and densities.
    Staroverov VN; Scuseria GE; Davidson ER
    J Chem Phys; 2006 Apr; 124(14):141103. PubMed ID: 16626173
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Optimization of selected molecular orbitals in group basis sets.
    Ferenczy GG; Adams WH
    J Chem Phys; 2009 Apr; 130(13):134108. PubMed ID: 19355718
    [TBL] [Abstract][Full Text] [Related]  

  • 39. A revised electronic Hessian for approximate time-dependent density functional theory.
    Ziegler T; Seth M; Krykunov M; Autschbach J
    J Chem Phys; 2008 Nov; 129(18):184114. PubMed ID: 19045393
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Comments on the Hartree-Fock description of Hooke's atom and suggestion for an accurate closed-form orbital.
    Ragot S
    J Chem Phys; 2008 Apr; 128(16):164104. PubMed ID: 18447418
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 15.