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 *

278 related articles for article (PubMed ID: 27083710)

  • 1. SparseMaps--A systematic infrastructure for reduced-scaling electronic structure methods. IV. Linear-scaling second-order explicitly correlated energy with pair natural orbitals.
    Pavošević F; Pinski P; Riplinger C; Neese F; Valeev EF
    J Chem Phys; 2016 Apr; 144(14):144109. PubMed ID: 27083710
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. I. An efficient and simple linear scaling local MP2 method that uses an intermediate basis of pair natural orbitals.
    Pinski P; Riplinger C; Valeev EF; Neese F
    J Chem Phys; 2015 Jul; 143(3):034108. PubMed ID: 26203015
    [TBL] [Abstract][Full Text] [Related]  

  • 3. SparseMaps-A systematic infrastructure for reduced scaling electronic structure methods. V. Linear scaling explicitly correlated coupled-cluster method with pair natural orbitals.
    Pavošević F; Peng C; Pinski P; Riplinger C; Neese F; Valeev EF
    J Chem Phys; 2017 May; 146(17):174108. PubMed ID: 28477585
    [TBL] [Abstract][Full Text] [Related]  

  • 4. SparseMaps--A systematic infrastructure for reduced-scaling electronic structure methods. III. Linear-scaling multireference domain-based pair natural orbital N-electron valence perturbation theory.
    Guo Y; Sivalingam K; Valeev EF; Neese F
    J Chem Phys; 2016 Mar; 144(9):094111. PubMed ID: 26957161
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. 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]  

  • 7. 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]  

  • 8. 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]  

  • 9. 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]  

  • 10. 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]  

  • 11. Explicitly correlated atomic orbital basis second order Møller-Plesset theory.
    Hollman DS; Wilke JJ; Schaefer HF
    J Chem Phys; 2013 Feb; 138(6):064107. PubMed ID: 23425461
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. Efficient Exploitation of Numerical Quadrature with Distance-Dependent Integral Screening in Explicitly Correlated F12 Theory: Linear Scaling Evaluation of the Most Expensive RI-MP2-F12 Term.
    Urban L; Laqua H; Thompson TH; Ochsenfeld C
    J Chem Theory Comput; 2024 May; 20(9):3706-3718. PubMed ID: 38626443
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. 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]  

  • 16. A new near-linear scaling, efficient and accurate, open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory.
    Saitow M; Becker U; Riplinger C; Valeev EF; Neese F
    J Chem Phys; 2017 Apr; 146(16):164105. PubMed ID: 28456208
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Scalable Electron Correlation Methods. 8. Explicitly Correlated Open-Shell Coupled-Cluster with Pair Natural Orbitals PNO-RCCSD(T)-F12 and PNO-UCCSD(T)-F12.
    Ma Q; Werner HJ
    J Chem Theory Comput; 2021 Feb; 17(2):902-926. PubMed ID: 33405921
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Direct determination of optimal pair-natural orbitals in a real-space representation: The second-order Moller-Plesset energy.
    Kottmann JS; Bischoff FA; Valeev EF
    J Chem Phys; 2020 Feb; 152(7):074105. PubMed ID: 32087647
    [TBL] [Abstract][Full Text] [Related]  

  • 19. SparseMaps-A systematic infrastructure for reduced-scaling electronic structure methods. VI. Linear-scaling explicitly correlated N-electron valence state perturbation theory with pair natural orbital.
    Guo Y; Pavošević F; Sivalingam K; Becker U; Valeev EF; Neese F
    J Chem Phys; 2023 Mar; 158(12):124120. PubMed ID: 37003738
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 14.