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 *

326 related articles for article (PubMed ID: 26575735)

  • 1. Linear-Scaling Coupled Cluster with Perturbative Triple Excitations: The Divide-Expand-Consolidate CCSD(T) Model.
    Eriksen JJ; Baudin P; Ettenhuber P; Kristensen K; Kjærgaard T; Jørgensen P
    J Chem Theory Comput; 2015 Jul; 11(7):2984-93. PubMed ID: 26575735
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. A Locality Analysis of the Divide-Expand-Consolidate Coupled Cluster Amplitude Equations.
    Kristensen K; Ziółkowski M; Jansík B; Kjærgaard T; Jørgensen P
    J Chem Theory Comput; 2011 Jun; 7(6):1677-94. PubMed ID: 26596432
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Natural triple excitations in local coupled cluster calculations with pair natural orbitals.
    Riplinger C; Sandhoefer B; Hansen A; Neese F
    J Chem Phys; 2013 Oct; 139(13):134101. PubMed ID: 24116546
    [TBL] [Abstract][Full Text] [Related]  

  • 5. The coupled cluster singles, doubles, and a hybrid treatment of connected triples based on the split virtual orbitals.
    Shen J; Kou Z; Xu E; Li S
    J Chem Phys; 2012 Jan; 136(4):044101. PubMed ID: 22299855
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Linear scaling perturbative triples correction approximations for open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory [DLPNO-CCSD(T
    Guo Y; Riplinger C; Liakos DG; Becker U; Saitow M; Neese F
    J Chem Phys; 2020 Jan; 152(2):024116. PubMed ID: 31941297
    [TBL] [Abstract][Full Text] [Related]  

  • 7. A coupled cluster approach with a hybrid treatment of connected triple excitations for bond-breaking potential energy surfaces.
    Shen J; Xu E; Kou Z; Li S
    J Chem Phys; 2010 Mar; 132(11):114115. PubMed ID: 20331289
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method [DLPNO-CCSD(T)].
    Guo Y; Riplinger C; Becker U; Liakos DG; Minenkov Y; Cavallo L; Neese F
    J Chem Phys; 2018 Jan; 148(1):011101. PubMed ID: 29306283
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Efficient linear-scaling second-order Møller-Plesset perturbation theory: The divide-expand-consolidate RI-MP2 model.
    Baudin P; Ettenhuber P; Reine S; Kristensen K; Kjærgaard T
    J Chem Phys; 2016 Feb; 144(5):054102. PubMed ID: 26851903
    [TBL] [Abstract][Full Text] [Related]  

  • 10. A Massively Parallel Implementation of the CCSD(T) Method Using the Resolution-of-the-Identity Approximation and a Hybrid Distributed/Shared Memory Parallelization Model.
    Datta D; Gordon MS
    J Chem Theory Comput; 2021 Aug; 17(8):4799-4822. PubMed ID: 34279094
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. Is It Possible To Obtain Coupled Cluster Quality Energies at near Density Functional Theory Cost? Domain-Based Local Pair Natural Orbital Coupled Cluster vs Modern Density Functional Theory.
    Liakos DG; Neese F
    J Chem Theory Comput; 2015 Sep; 11(9):4054-63. PubMed ID: 26575901
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. An efficient linear-scaling CCSD(T) method based on local natural orbitals.
    Rolik Z; Szegedy L; Ladjánszki I; Ladóczki B; Kállay M
    J Chem Phys; 2013 Sep; 139(9):094105. PubMed ID: 24028100
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Optimization of the Coupled Cluster Implementation in NWChem on Petascale Parallel Architectures.
    Anisimov VM; Bauer GH; Chadalavada K; Olson RM; Glenski JW; Kramer WT; Aprà E; Kowalski K
    J Chem Theory Comput; 2014 Oct; 10(10):4307-16. PubMed ID: 26588127
    [TBL] [Abstract][Full Text] [Related]  

  • 16. The coupled cluster approach with a hybrid treatment of connected triple excitations based on the restricted Hartree-Fock reference.
    Shen J; Kou Z; Xu E; Li S
    J Chem Phys; 2011 Jan; 134(4):044134. PubMed ID: 21280714
    [TBL] [Abstract][Full Text] [Related]  

  • 17. An orbital-invariant and strictly size extensive post-Hartree-Fock correlation functional.
    Kollmar C; Neese F
    J Chem Phys; 2011 Aug; 135(8):084102. PubMed ID: 21895154
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Massively parallel implementations of coupled-cluster methods for electron spin resonance spectra. I. Isotropic hyperfine coupling tensors in large radicals.
    Verma P; Perera A; Morales JA
    J Chem Phys; 2013 Nov; 139(17):174103. PubMed ID: 24206283
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Parallel Calculation of CCSD and CCSD(T) Analytic First and Second Derivatives.
    Harding ME; Metzroth T; Gauss J; Auer AA
    J Chem Theory Comput; 2008 Jan; 4(1):64-74. PubMed ID: 26619980
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 17.