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public:publications [2026/03/20 17:20] – tsauepublic:publications [2026/03/22 09:20] (current) – tsaue
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 === Peer-review publications === === Peer-review publications ===
  
-  - Trond Saue, //Does chemistry need more physics?//, Pure and Applied Chemistry, **97** (2025) 1255 [[https://doi.org/10.1515/pac-2025-0497|DOI:10.1515/pac-2025-0497]] +  - Ryan Benazzouk,Maen Salman and Trond Saue, //Wichmann-Kroll vacuum polarization density in a finite Gaussian basis set//, Phys. Rev. A **113** (2026) 032813 ([[https://doi.org/10.1103/wbz7-czxx|article]])([[https://arxiv.org/abs/2512.16569|arXiv]]) 
-  - Dávid Ferenc, Maen Salman and Trond Saue, //Gaussian-basis-set approach to one-loop self-energy//, Physical Review A **111** (2025) L040802 [[https://doi.org/10.1103/PhysRevA.111.L040802|DOI:10.1103/PhysRevA.111.L040802]] +  - Trond Saue, //Does chemistry need more physics?//, Pure and Applied Chemistry, **97** (2025) 1255 ([[https://doi.org/10.1515/pac-2025-0497|article]])([[https://arxiv.org/abs/2504.19003|arXiv]]) 
-  - Gabriele Fabbro, Johann Pototschnig and Trond Saue, //Beyond the Dailey–Townes Model: Chemical Information from the Electric Field Gradient//, The Journal of Physical Chemistry A, Article ASAP, [[https://doi.org/10.1021/acs.jpca.4c06884|DOI: 10.1021/acs.jpca.4c0688]]+  - Gabriele Fabbro, Jan Brandejs and Trond Saue, //Highly Accurate Expectation Values Using High-Order Relativistic Coupled Cluster Theory//, J. Phys. Chem. A **129** (2025) 6942 ([[https://doi.org/10.1021/acs.jpca.5c02844|article]])([[https://arxiv.org/abs/2504.18516|arXiv]]) 
 +  - Jan Brandejs, Johann Pototschnig and Trond Saue, //Generating Coupled Cluster Code for Modern Distributed-Memory Tensor Software//, J. Chem. Theory Comput. **21** (2025) 7320 ([[https://doi.org/10.1021/acs.jctc.5c00219|article]])([[https://arxiv.org/abs/2409.06759|arXiv]]) 
 +  - Dávid Ferenc, Maen Salman and Trond Saue, //Gaussian-basis-set approach to one-loop self-energy//, Physical Review A **111** (2025) L040802 ([[https://doi.org/10.1103/PhysRevA.111.L040802|article]])([[https://arxiv.org/abs/2501.10027|arXiv]]) 
 +  - Gabriele Fabbro, Johann Pototschnig and Trond Saue, //Beyond the Dailey–Townes Model: Chemical Information from the Electric Field Gradient//, The Journal of Physical Chemistry A **129** (2025) 1006, ([[https://doi.org/10.1021/acs.jpca.4c06884|article]])([[https://arxiv.org/abs/2410.08386|arXiv]])
   - Maen Salman and Trond Saue: //Calculating the many-potential vacuum polarization density of the Dirac equation in the finite-basis approximation//, Phys. Rev. A **108** (2023) 012808 ([[https://doi.org/10.1103/PhysRevA.108.012808|article]]) ([[https://arxiv.org/abs/2304.09008|arXiv]])   - Maen Salman and Trond Saue: //Calculating the many-potential vacuum polarization density of the Dirac equation in the finite-basis approximation//, Phys. Rev. A **108** (2023) 012808 ([[https://doi.org/10.1103/PhysRevA.108.012808|article]]) ([[https://arxiv.org/abs/2304.09008|arXiv]])
   - Ayaki Sunaga, Maen Salman and Trond Saue: //4-component relativistic Hamiltonian with effective QED potentials for molecular calculations//, J. Chem. Phys. **157** (2022) 164101 ([[https://doi.org/10.1063/5.0116140|article]]), ([[https://arxiv.org/abs/2207.14101|arXiv]])   - Ayaki Sunaga, Maen Salman and Trond Saue: //4-component relativistic Hamiltonian with effective QED potentials for molecular calculations//, J. Chem. Phys. **157** (2022) 164101 ([[https://doi.org/10.1063/5.0116140|article]]), ([[https://arxiv.org/abs/2207.14101|arXiv]])
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 === Preprints === === Preprints ===
  
 +  - Ryan Benazzouk,Maen Salman and Trond Saue, //Wichmann-Kroll vacuum polarization density in a finite Gaussian basis set//, [[https://arxiv.org/abs/2512.16569|arXiv:2512.16569]]
 +  - Jan Brandejs, Niklas Hörnblad, Edward F. Valeev, Alexander Heinecke, Jeff Hammond, Devin Matthews and Paolo Bientinesi, //Tensor Algebra Processing Primitives (TAPP): Towards a Standard for Tensor Operations//, [[https://arxiv.org/abs/2601.07827|arXiv:2601.07827]]
 +  - Per Sehlstedt, Jan Brandejs, Paolo Bientinesi and Lars Karlsson, //The Software Landscape for the Density Matrix Renormalization Group//, [[https://arxiv.org/abs/2506.12629|arXiv:2506.12629]]
   - Jan Brandejs, Trond Saue, Andre Severo Pereira Gomes, Lucas Visscher and Paolo Bientinesi: //Report on the second Toulouse Tensor Workshop// [[https://arxiv.org/abs/2602.05490|arXiv:2602.05490]]   - Jan Brandejs, Trond Saue, Andre Severo Pereira Gomes, Lucas Visscher and Paolo Bientinesi: //Report on the second Toulouse Tensor Workshop// [[https://arxiv.org/abs/2602.05490|arXiv:2602.05490]]
   - Gabriele Fabbro, Jan Brandejs and Trond Saue: //The nuclear electric quadrupole moment of 87Sr from highly accurate molecular relativistic calculations//, [[https://arxiv.org/abs/2602.00855|arXiv:2602.00855]]   - Gabriele Fabbro, Jan Brandejs and Trond Saue: //The nuclear electric quadrupole moment of 87Sr from highly accurate molecular relativistic calculations//, [[https://arxiv.org/abs/2602.00855|arXiv:2602.00855]]
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 === Seminars === === Seminars ===
  
 +  - __Trond Saue__: //Vacuum polarization in a finite basis// ([[https://doi.org/10.5281/zenodo.19136094|pdf]]), in the Faculty of Physics, University of Physics, Warszaw. Nov 21 2025. Host: Krzysztof Pachucki 
 +  - __Trond Saue__: //Light-matter interaction in a relativistic perspective// ([[https://doi.org/10.5281/zenodo.19136006|pdf]]), in the Faculty of Physics, University of Physics, Warszaw. Nov 21 2025. Host: Dominika Zgid. 
 +  - __Trond Saue__: //Light-matter interaction in a relativistic perspective// ([[https://doi.org/10.5281/zenodo.19135895|pdf]]) at The Department of Physical and Theoretical Chemistry, Comenius University in Bratislava, Nov 14 2025 
 +  - __Trond Saue__: //Vacuum polarization in a finite basis// ([[https://doi.org/10.5281/zenodo.19135784|pdf]])  in the [[https://www.compchem.hu/|group of Edit Matyus]] in Budapest, Nov 12 2025
   - __Trond Saue__: //Nuclear size effects in rovibrational spectra: A tale with a twist// ([[https://doi.org/10.5281/zenodo.19135713|pdf]]) for the Department of Chemistry at the [[https://en.wikipedia.org/wiki/E%C3%B6tv%C3%B6s_Lor%C3%A1nd_University|Eötvös Loránd University ]] in Budapest, Nov 13 2025   - __Trond Saue__: //Nuclear size effects in rovibrational spectra: A tale with a twist// ([[https://doi.org/10.5281/zenodo.19135713|pdf]]) for the Department of Chemistry at the [[https://en.wikipedia.org/wiki/E%C3%B6tv%C3%B6s_Lor%C3%A1nd_University|Eötvös Loránd University ]] in Budapest, Nov 13 2025
   - __Gabriele Fabbro__: //Highly Accurate Expectation Values using   - __Gabriele Fabbro__: //Highly Accurate Expectation Values using
public/publications.1774023658.txt.gz · Last modified: 2026/03/20 17:20 by tsaue