BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

292 related articles for article (PubMed ID: 22462834)

  • 1. 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]  

  • 2. Periodic local MP2 method employing orbital specific virtuals.
    Usvyat D; Maschio L; Schütz M
    J Chem Phys; 2015 Sep; 143(10):102805. PubMed ID: 26373998
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Tensor factorizations of local second-order Møller-Plesset theory.
    Yang J; Kurashige Y; Manby FR; Chan GK
    J Chem Phys; 2011 Jan; 134(4):044123. PubMed ID: 21280703
    [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. 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]  

  • 6. 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]  

  • 7. The orbital-specific-virtual local coupled cluster singles and doubles method.
    Yang J; Chan GK; Manby FR; Schütz M; Werner HJ
    J Chem Phys; 2012 Apr; 136(14):144105. PubMed ID: 22502499
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Quadratically convergent algorithm for orbital optimization in the orbital-optimized coupled-cluster doubles method and in orbital-optimized second-order Møller-Plesset perturbation theory.
    Bozkaya U; Turney JM; Yamaguchi Y; Schaefer HF; Sherrill CD
    J Chem Phys; 2011 Sep; 135(10):104103. PubMed ID: 21932872
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Further investigations into a Laplace MP2 method using range separated Coulomb potential and orbital selective virtuals: Multipole correction, OSV extrapolation, and critical assessment.
    Demel O; Lecours MJ; Nooijen M
    J Chem Phys; 2023 Mar; 158(11):114120. PubMed ID: 36948803
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Sparsity of the electron repulsion integral tensor using different localized virtual orbital representations in local second-order Møller-Plesset theory.
    Wang Z; Aldossary A; Head-Gordon M
    J Chem Phys; 2023 Feb; 158(6):064105. PubMed ID: 36792513
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Complete OSV-MP2 Analytical Gradient Theory for Molecular Structure and Dynamics Simulations.
    Zhou R; Liang Q; Yang J
    J Chem Theory Comput; 2020 Jan; 16(1):196-210. PubMed ID: 31815490
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Molecular gradient for second-order Møller-Plesset perturbation theory using the divide-expand-consolidate (DEC) scheme.
    Kristensen K; Jørgensen P; Jansík B; Kjærgaard T; Reine S
    J Chem Phys; 2012 Sep; 137(11):114102. PubMed ID: 22998244
    [TBL] [Abstract][Full Text] [Related]  

  • 13. The orbital-specific virtual local triples correction: OSV-L(T).
    Schütz M; Yang J; Chan GK; Manby FR; Werner HJ
    J Chem Phys; 2013 Feb; 138(5):054109. PubMed ID: 23406100
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Approaching the theoretical limit in periodic local MP2 calculations with atomic-orbital basis sets: the case of LiH.
    Usvyat D; Civalleri B; Maschio L; Dovesi R; Pisani C; Schütz M
    J Chem Phys; 2011 Jun; 134(21):214105. PubMed ID: 21663342
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Second-order Møller-Plesset theory with linear R12 terms (MP2-R12) revisited: auxiliary basis set method and massively parallel implementation.
    Valeev EF; Janssen CL
    J Chem Phys; 2004 Jul; 121(3):1214-27. PubMed ID: 15260663
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Correlated one-body potential from second-order Møller-Plesset perturbation theory: alternative to orbital-optimized MP2 method.
    Lan TN; Yanai T
    J Chem Phys; 2013 Jun; 138(22):224108. PubMed ID: 23781784
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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]  

  • 18. Assessment of Orbital-Optimized, Spin-Component Scaled Second-Order Many-Body Perturbation Theory for Thermochemistry and Kinetics.
    Neese F; Schwabe T; Kossmann S; Schirmer B; Grimme S
    J Chem Theory Comput; 2009 Nov; 5(11):3060-73. PubMed ID: 26609985
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Local explicitly correlated second-order Møller-Plesset perturbation theory with pair natural orbitals.
    Tew DP; Helmich B; Hättig C
    J Chem Phys; 2011 Aug; 135(7):074107. PubMed ID: 21861556
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Eliminating the domain error in local explicitly correlated second-order Møller-Plesset perturbation theory.
    Werner HJ
    J Chem Phys; 2008 Sep; 129(10):101103. PubMed ID: 19044900
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 15.