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Journal Abstract Search

268 related items for PubMed ID: 25106563

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  • 3. Atomic orbital-based SOS-MP2 with tensor hypercontraction. I. GPU-based tensor construction and exploiting sparsity.
    Song C, Martínez TJ.
    J Chem Phys; 2016 May 07; 144(17):174111. PubMed ID: 27155629
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  • 4. Selected-Nuclei Method for the Computation of Hyperfine Coupling Constants within Second-Order Møller-Plesset Perturbation Theory.
    Vogler S, Savasci G, Ludwig M, Ochsenfeld C.
    J Chem Theory Comput; 2018 Jun 12; 14(6):3014-3024. PubMed ID: 29762028
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  • 5. Atomic orbital-based SOS-MP2 with tensor hypercontraction. II. Local tensor hypercontraction.
    Song C, Martínez TJ.
    J Chem Phys; 2017 Jan 21; 146(3):034104. PubMed ID: 28109237
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  • 6. Resolution of the identity atomic orbital Laplace transformed second order Møller-Plesset theory for nonconducting periodic systems.
    Izmaylov AF, Scuseria GE.
    Phys Chem Chem Phys; 2008 Jun 21; 10(23):3421-9. PubMed ID: 18535725
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  • 7. Linear-scaling symmetry-adapted perturbation theory with scaled dispersion.
    Maurer SA, Beer M, Lambrecht DS, Ochsenfeld C.
    J Chem Phys; 2013 Nov 14; 139(18):184104. PubMed ID: 24320251
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  • 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 07; 144(5):054102. PubMed ID: 26851903
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  • 13. Low-Scaling Tensor Hypercontraction in the Cholesky Molecular Orbital Basis Applied to Second-Order Møller-Plesset Perturbation Theory.
    Bangerter FH, Glasbrenner M, Ochsenfeld C.
    J Chem Theory Comput; 2021 Jan 12; 17(1):211-221. PubMed ID: 33375790
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  • 14. An improved algorithm for analytical gradient evaluation in resolution-of-the-identity second-order Møller-Plesset perturbation theory: application to alanine tetrapeptide conformational analysis.
    Distasio RA, Steele RP, Rhee YM, Shao Y, Head-Gordon M.
    J Comput Chem; 2007 Apr 15; 28(5):839-56. PubMed ID: 17219361
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  • 15. 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 28; 141(12):124108. PubMed ID: 25273413
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  • 16. Sparse tensor based nuclear gradients for periodic Hartree-Fock and low-scaling correlated wave function methods in the CP2K software package: A massively parallel and GPU accelerated implementation.
    Bussy A, Schütt O, Hutter J.
    J Chem Phys; 2023 Apr 28; 158(16):. PubMed ID: 37102449
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  • 18. MPI/OpenMP Hybrid Parallel Algorithm of Resolution of Identity Second-Order Møller-Plesset Perturbation Calculation for Massively Parallel Multicore Supercomputers.
    Katouda M, Nakajima T.
    J Chem Theory Comput; 2013 Dec 10; 9(12):5373-80. PubMed ID: 26592275
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  • 20. Preselective Screening for Linear-Scaling Exact Exchange-Gradient Calculations for Graphics Processing Units and General Strong-Scaling Massively Parallel Calculations.
    Kussmann J, Ochsenfeld C.
    J Chem Theory Comput; 2015 Mar 10; 11(3):918-22. PubMed ID: 26579745
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