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start [2021/12/08 12:15] tsauestart [2022/04/11 09:31] tsaue
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 It is named after P.A.M. Dirac, the father of relativistic electronic structure theory. It is named after P.A.M. Dirac, the father of relativistic electronic structure theory.
  
-Get the latest DIRAC version here (**open access**): [[https://doi.org/10.5281/zenodo.4836495|{{:marketing:download-button.png|Download the latest version}}]]+Get the latest DIRAC version here (**open access**): [[https://doi.org/10.5281/zenodo.6010449|{{:marketing:download-button.png|Download the latest version}}]]
  
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 ===== News ===== ===== News =====
-2021-10-25 New paper submitted: Martin van Horn, Trond Saue and Nanna Holmgaard List://Probing Chirality across the Electromagnetic Spectrum with the Full Semi-classical Light--Matter Interaction// JCP (2021accepted [[https://doi.org/10.33774/chemrxiv-2021-j1hcz-v2|ChemXRiv]]+ 
 +2022-04-11 New manuscript submission: Stefan Knecht, Michal Repisky, Hans Jørgen Aagaard Jensen, Trond Saue, //Exact two-component Hamiltonians for relativistic quantum chemistry: Two-electron picture-change corrections made simple// [[https://arxiv.org/abs/2204.03977|arXiv]] 
 + 
 +2022-02-08 **DIRAC22 is released !** At the same time DIRAC goes [[https://gitlab.com/dirac/dirac/|open source]] under [[https://opensource.org/licenses/LGPL-2.1|GNU Lesser General Public License v2.1 only]] 
 + 
 +2022-02-11 New paper: M. Rodríguez-Mayorga, K.J.H. Giesbertz, L. Visscher 
 +// Relativistic reduced density matrix functional theory 
 +// [[https://arxiv.org/abs/2202.00328|(arXiv)]] 
 + 
 +2022-02-03 New paper: Xiang Yuan, Lucas Visscher, Andre Severo Pereira Gomes 
 +// Assessing MP2 frozen natural orbitals in relativistic correlated electronic structure calculations 
 +// [[https://arxiv.org/abs/2202.01146|(arXiv)]] 
 + 
 +2022-01-17 A one-day DIRAC hackathon was held by zoom. Good discussions and bugfixes ! 
 +{{ ::dirac_janh2022.png?direct&300 |}} 
 + 
 +2021-12-14 New paper: Joel Creutzberg and Erik D. Hedegård 
 +//Polarizable embedding complex polarization propagator in four- and two-component frameworks 
 +// [[https://arxiv.org/abs/2112.07721|(arXiv)]] 
 + 
 +2021-10-25 New paper: Martin van Horn, Trond Saue and Nanna Holmgaard List 
 +//Probing Chirality across the Electromagnetic Spectrum with the Full Semi-classical Light--Matter Interaction 
 +// [[https://doi.org/10.1063/5.0077502 | (electronic version)]] [[https://doi.org/10.33774/chemrxiv-2021-j1hcz-v2| (ChemXRiv)]]
  
  
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 {{ ::diracws_sep2021.png?direct&300 |}} {{ ::diracws_sep2021.png?direct&300 |}}
  
-2021-07-05 New paper: Ayaki Sunaga and Trond Saue://Towards highly accurate calculations of parity violation in chiral molecules: relativistic coupled-cluster theory including QED-effects//Mol. Phys. (2021) online [[https://www.tandfonline.com/doi/full/10.1080/00268976.2021.1974592|(electronic version)]] [[https://arxiv.org/abs/2107.00682|(arXiv)]]+2021-07-05 New paper: Ayaki Sunaga and Trond Saue 
 +//Towards highly accurate calculations of parity violation in chiral molecules: relativistic coupled-cluster theory including QED-effects 
 +// [[https://www.tandfonline.com/doi/full/10.1080/00268976.2021.1974592|(electronic version)]] [[https://arxiv.org/abs/2107.00682|(arXiv)]]
  
 2021-05-28 The DIRAC meeting concluded with the **release of DIRAC21**! 2021-05-28 The DIRAC meeting concluded with the **release of DIRAC21**!
start.txt · Last modified: 2024/02/21 16:42 by tsaue

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