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 *

167 related articles for article (PubMed ID: 15740194)

  • 1. A localized basis that allows fast and accurate second-order Moller-Plesset calculations.
    Subotnik JE; Head-Gordon M
    J Chem Phys; 2005 Jan; 122(3):34109. PubMed ID: 15740194
    [TBL] [Abstract][Full Text] [Related]  

  • 2. A local second-order Møller-Plesset method with localized orbitals: a parallelized efficient electron correlation method.
    Nakao Y; Hirao K
    J Chem Phys; 2004 Apr; 120(14):6375-80. PubMed ID: 15267526
    [TBL] [Abstract][Full Text] [Related]  

  • 3. A hybrid scheme for the resolution-of-the-identity approximation in second-order Møller-Plesset linear-r(12) perturbation theory.
    Klopper W
    J Chem Phys; 2004 Jun; 120(23):10890-5. PubMed ID: 15268119
    [TBL] [Abstract][Full Text] [Related]  

  • 4. General orbital invariant MP2-F12 theory.
    Werner HJ; Adler TB; Manby FR
    J Chem Phys; 2007 Apr; 126(16):164102. PubMed ID: 17477584
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell pi-conjugated systems.
    Champagne B; Botek E; Nakano M; Nitta T; Yamaguchi K
    J Chem Phys; 2005 Mar; 122(11):114315. PubMed ID: 15839724
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Møller-Plesset perturbation theory, and density functional theory.
    Pai CC; Li AH; Chao SD
    J Phys Chem A; 2007 Nov; 111(46):11922-9. PubMed ID: 17963367
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Fast evaluation of scaled opposite spin second-order Møller-Plesset correlation energies using auxiliary basis expansions and exploiting sparsity.
    Jung Y; Shao Y; Head-Gordon M
    J Comput Chem; 2007 Sep; 28(12):1953-64. PubMed ID: 17447248
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Scaled opposite-spin second order Møller-Plesset correlation energy: an economical electronic structure method.
    Jung Y; Lochan RC; Dutoi AD; Head-Gordon M
    J Chem Phys; 2004 Nov; 121(20):9793-802. PubMed ID: 15549852
    [TBL] [Abstract][Full Text] [Related]  

  • 9. An efficient implementation of the "cluster-in-molecule" approach for local electron correlation calculations.
    Li S; Shen J; Li W; Jiang Y
    J Chem Phys; 2006 Aug; 125(7):074109. PubMed ID: 16942324
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Improved perturbative treatment of electronic energies from a minimal-norm approach to many-body perturbation theory.
    Juhász T; Mazziotti DA
    J Chem Phys; 2005 Mar; 122(12):124101. PubMed ID: 15836363
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Accurate quantum-chemical calculations using Gaussian-type geminal and Gaussian-type orbital basis sets: applications to atoms and diatomics.
    Dahle P; Helgaker T; Jonsson D; Taylor PR
    Phys Chem Chem Phys; 2007 Jun; 9(24):3112-26. PubMed ID: 17612735
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Dual-basis second-order Moller-Plesset perturbation theory: A reduced-cost reference for correlation calculations.
    Steele RP; DiStasio RA; Shao Y; Kong J; Head-Gordon M
    J Chem Phys; 2006 Aug; 125(7):074108. PubMed ID: 16942323
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Accurate calculations of intermolecular interaction energies using explicitly correlated wave functions.
    Marchetti O; Werner HJ
    Phys Chem Chem Phys; 2008 Jun; 10(23):3400-9. PubMed ID: 18535723
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Optimization of orbital-specific virtuals in local Møller-Plesset perturbation theory.
    Kurashige Y; Yang J; Chan GK; Manby FR
    J Chem Phys; 2012 Mar; 136(12):124106. PubMed ID: 22462834
    [TBL] [Abstract][Full Text] [Related]  

  • 15. An efficient atomic orbital based second-order Møller-Plesset gradient program.
    Saebø S; Baker J; Wolinski K; Pulay P
    J Chem Phys; 2004 Jun; 120(24):11423-31. PubMed ID: 15268176
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Local explicitly correlated second- and third-order Møller-Plesset perturbation theory with pair natural orbitals.
    Hättig C; Tew DP; Helmich B
    J Chem Phys; 2012 May; 136(20):204105. PubMed ID: 22667538
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Hybrid correlation models based on active-space partitioning: seeking accurate O(N5) ab initio methods for bond breaking.
    Bochevarov AD; Temelso B; Sherrill CD
    J Chem Phys; 2006 Aug; 125(5):054109. PubMed ID: 16942205
    [TBL] [Abstract][Full Text] [Related]  

  • 18. 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]  

  • 19. A general-order local coupled-cluster method based on the cluster-in-molecule approach.
    Rolik Z; Kállay M
    J Chem Phys; 2011 Sep; 135(10):104111. PubMed ID: 21932880
    [TBL] [Abstract][Full Text] [Related]  

  • 20. A local correlation model that yields intrinsically smooth potential-energy surfaces.
    Subotnik JE; Head-Gordon M
    J Chem Phys; 2005 Aug; 123(6):64108. PubMed ID: 16122301
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.