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 *

274 related articles for article (PubMed ID: 25933753)

  • 1. On the use of Abelian point group symmetry in density-fitted local MP2 using various types of virtual orbitals.
    Köppl C; Werner HJ
    J Chem Phys; 2015 Apr; 142(16):164108. PubMed ID: 25933753
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Efficient evaluation of triple excitations in symmetry-adapted perturbation theory via second-order Møller-Plesset perturbation theory natural orbitals.
    Hohenstein EG; Sherrill CD
    J Chem Phys; 2010 Sep; 133(10):104107. PubMed ID: 20849164
    [TBL] [Abstract][Full Text] [Related]  

  • 3. 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]  

  • 4. 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]  

  • 5. Magnetizability and rotational g tensors for density fitted local second-order Møller-Plesset perturbation theory using gauge-including atomic orbitals.
    Loibl S; Schütz M
    J Chem Phys; 2014 Jul; 141(2):024108. PubMed ID: 25028000
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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]  

  • 7. Linear-scaling explicitly correlated treatment of solids: periodic local MP2-F12 method.
    Usvyat D
    J Chem Phys; 2013 Nov; 139(19):194101. PubMed ID: 24320310
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. NMR shielding tensors for density fitted local second-order Møller-Plesset perturbation theory using gauge including atomic orbitals.
    Loibl S; Schütz M
    J Chem Phys; 2012 Aug; 137(8):084107. PubMed ID: 22938218
    [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. Scalable Electron Correlation Methods. 2. Parallel PNO-LMP2-F12 with Near Linear Scaling in the Molecular Size.
    Ma Q; Werner HJ
    J Chem Theory Comput; 2015 Nov; 11(11):5291-304. PubMed ID: 26574323
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Derivation of general analytic gradient expressions for density-fitted post-Hartree-Fock methods: an efficient implementation for the density-fitted second-order Møller-Plesset perturbation theory.
    Bozkaya U
    J Chem Phys; 2014 Sep; 141(12):124108. PubMed ID: 25273413
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Scalable Electron Correlation Methods. 3. Efficient and Accurate Parallel Local Coupled Cluster with Pair Natural Orbitals (PNO-LCCSD).
    Schwilk M; Ma Q; Köppl C; Werner HJ
    J Chem Theory Comput; 2017 Aug; 13(8):3650-3675. PubMed ID: 28661673
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Scalable Electron Correlation Methods. 6. Local Spin-Restricted Open-Shell Second-Order Møller-Plesset Perturbation Theory Using Pair Natural Orbitals: PNO-RMP2.
    Krause C; Werner HJ
    J Chem Theory Comput; 2019 Feb; 15(2):987-1005. PubMed ID: 30571916
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Local complete active space second-order perturbation theory using pair natural orbitals (PNO-CASPT2).
    Menezes F; Kats D; Werner HJ
    J Chem Phys; 2016 Sep; 145(12):124115. PubMed ID: 27782683
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. Local MP2 with Density Fitting for Periodic Systems: A Parallel Implementation.
    Maschio L
    J Chem Theory Comput; 2011 Sep; 7(9):2818-30. PubMed ID: 26605473
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Scalable electron correlation methods I.: PNO-LMP2 with linear scaling in the molecular size and near-inverse-linear scaling in the number of processors.
    Werner HJ; Knizia G; Krause C; Schwilk M; Dornbach M
    J Chem Theory Comput; 2015 Feb; 11(2):484-507. PubMed ID: 26580908
    [TBL] [Abstract][Full Text] [Related]  

  • 19. An efficient and near linear scaling pair natural orbital based local coupled cluster method.
    Riplinger C; Neese F
    J Chem Phys; 2013 Jan; 138(3):034106. PubMed ID: 23343267
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Local orbitals by minimizing powers of the orbital variance.
    Jansík B; Høst S; Kristensen K; Jørgensen P
    J Chem Phys; 2011 May; 134(19):194104. PubMed ID: 21599041
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 14.