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publications [2026/01/30 16:50] – [2021] aspgpublications [2026/02/16 16:34] (current) gfabbro
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 ===== Publications related to DIRAC development ===== ===== Publications related to DIRAC development =====
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 +==== 2026 ====
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 +    * J. Brandejs, N. Hörnblad, E. F. Valeev, A. Heinecke, J. Hammond, D. Matthews, P. Bientinesi,  // Tensor Algebra Processing Primitives (TAPP): Towards a Standard for Tensor Operations // arXiv:2601.07827 (2026) [[https://arxiv.org/abs/2601.07827|online]]
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 +    * G. Fabbro, J. Brandejs, T. Saue, // The nuclear electric quadrupole moment of  87Sr from highly accurate molecular relativistic calculations // arXiv:2602.00855 (2026) [[https://arxiv.org/abs/2602.00855|online]]
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 ==== 2025 ==== ==== 2025 ====
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     * J. Brandejs, J. Pototschnig, T. Saue, // Generating coupled cluster code for modern distributed memory tensor software // J. Chem. Theor. Comp., 21 15, 7320–7334 (2025) [[https://pubs.acs.org/doi/full/10.1021/acs.jctc.5c00219|online]]     * J. Brandejs, J. Pototschnig, T. Saue, // Generating coupled cluster code for modern distributed memory tensor software // J. Chem. Theor. Comp., 21 15, 7320–7334 (2025) [[https://pubs.acs.org/doi/full/10.1021/acs.jctc.5c00219|online]]
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 +    * G. Fabbro, J. Brandejs, T. Saue, // Highly Accurate Expectation Values Using High-Order Relativistic Coupled Cluster Theory // J. Phys. Chem. A 2025, 129, 30, 6942–6958 (2025)  [[https://pubs.acs.org/doi/10.1021/acs.jpca.5c02844|online]]
  
     * E. D. Larsson, P. Reinholdt, J. Kongsted, E. D. Hedegård // Exact Two-Component Relativistic Polarizable Density Embedding // J. Chem. Theor. Comp., 21 9, 4447–4457 (2025) [[https://pubs.acs.org/doi/abs/10.1021/acs.jctc.5c00014|online]]     * E. D. Larsson, P. Reinholdt, J. Kongsted, E. D. Hedegård // Exact Two-Component Relativistic Polarizable Density Embedding // J. Chem. Theor. Comp., 21 9, 4447–4457 (2025) [[https://pubs.acs.org/doi/abs/10.1021/acs.jctc.5c00014|online]]
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     * E. D. Hedegård, R. Bast, J. Kongsted, J. M. H. Olsen, and H. J. Aa. Jensen, //Relativistic Polarizable Embedding//. J. Chem. Theory Comput. 13, 2870–2880 (2017) [[http://doi.org/10.1021/acs.jctc.7b00162|online]]     * E. D. Hedegård, R. Bast, J. Kongsted, J. M. H. Olsen, and H. J. Aa. Jensen, //Relativistic Polarizable Embedding//. J. Chem. Theory Comput. 13, 2870–2880 (2017) [[http://doi.org/10.1021/acs.jctc.7b00162|online]]
  
 +    * M. Olejniczak, R. Bast, A. S. P. Gomes, //On the calculation of second-order magnetic properties using subsystem approaches in a relativistic framework//. Phys. Chem. Chem. Phys. 19, 8400 (2017) [[http://doi.org/10.1039/C6CP08561J|online]]
 ==== 2016 ==== ==== 2016 ====
  
publications.1769791808.txt.gz · Last modified: 2026/01/30 16:50 by aspg

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