Differences

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--- start [2021/06/08 13:10] – aspg
+++ start [2023/05/31 11:03] (current) – tsaue
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 It is named after P.A.M. Dirac, the father of relativistic electronic structure theory.
-Get the latest DIRAC version here (**open access**): [[https://zenodo.org/record/4836496|{{:marketing:download-button.png|Download the latest version}}]]
+Get the latest DIRAC version here (**open access**): [[https://doi.org/10.5281/zenodo.7670749|{{:marketing:download-button.png|Download the latest version}}]]
 ----
 ===== News =====
+-05-31 The official photo of the 26th DIRAC programmers meeting
+{{ ::dirac23_offphoto.jpg?600 |}}
+Front row: Martin van Horn (Toulouse), Erik Hedegård (Odense), Johann Pototschnig (Toulouse), Gabriele Fabbro (Toulouse), Xiang Yuan (Lille. Back row: Erik Kjellgren (Odense), Trond Saue (Toulouse), Ernst D. Larsson (Odense), Hans Jørgen Aa. Jensen (Odense), Luuk Visscher (Amsterdam), Gosia Olejniczak (Warsaw), Andre Gomes (Lille), Jan Brandejs (Toulouse). On zoom: Ayaki Sunaga (Kyoto), Miroslav Iliaš (Banskej Bystrici)
+-05-30 The 26th DIRAC programmers meeting has started.
+{{ ::dirac23meeting.jpg?direct&600 |}}
+-02-23 **DIRAC23 is released !**
+-02-22 New submission: Martin van Horn, Nanna List and Trond Saue. // Transition Moments Beyond the Electric-Dipole Approximation: Visualization and Basis Set Requirements // [[https://doi.org/10.26434/chemrxiv-2023-77sx8|ChemRxiv]]
+-02-10 After many years of faithful service from Banská Bystrica, Slovakia (thanks, Miro !), the DIRAC web site and documentation has now moved to [[https://www.lcpq.ups-tlse.fr/?lang=en|Laboratoire de Chimie et Physique Quantiques]] (LCPQ) in Toulouse. Many thanks to **David Sanchez** (Toulouse) and Radovan Bast (Tromsø) for their effort.
+{{ ::sanchez_avatar.png?150 |}}
+-01-27 Dirac January hackathon
+{{ ::dirac23_janhackathon.png?400 |}}
+-10-27 New paper: M. Rodríguez-Mayorga, D. Keizer, K.J.H. Giesbertz, L. Visscher, // Relativistic effects on electronic pair densities: a perspective from the radial intracule and extracule probability densities//, J. Chem. Phys. 157, 194301 (2022) [[https://aip.scitation.org/doi/10.1063/5.0127190|(electronic version)]]
+-07-28 New paper: Ayaki Sunaga, Maen Salman, Trond Saue, // 4-component relativistic Hamiltonian with effective QED potentials for molecular calculations//, J. Chem. Phys. 157, 164101 (2022)
+[[https://aip.scitation.org/doi/10.1063/5.0116140|(electronic version)]] [[https://arxiv.org/abs/2207.14101|(arXiv)]]
+-06-01: 25th DIRAC-meeting in Odense
+{{ :dirac22_meeting.jpg?400 |}}
+Standing, from left: Xiang Yuan (Lille), Mauricio Rodríguez-Mayorga (Amsterdam), Martin van Horn (Toulouse), Joel Creutzberg (Lund), André Gomes (Lille), Jan Brandejs (Toulouse), Johann Pototschnig (Toulouse), Hans Jørgen Aa. Jensen (Odense), Maen Salman (Toulouse). In front: Luuk Visscher (Amsterdam), Radovan (universe), Trond Saue (Toulouse).
+-05-30: The 25th DIRAC meeting has started !
+{{::dirac22a.jpg?300|}}{{ :dirac22b.jpg?300|}}
+-04-26 New paper: Ayaki Sunaga and Timo Fleig,
+//Spectroscopic and electric properties of the TaO molecule ion for the search of new physics: A platform for identification and state control//
+[[https://doi.org/10.1016/j.jqsrt.2022.108229|(electronic version)]] [[https://arxiv.org/abs/2203.10260|(arXiv)]]
+-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]]
+-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]]
+-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)]]
+-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)]]
+-01-17 A one-day DIRAC hackathon was held by zoom. Good discussions and bugfixes !
+{{ ::dirac_janh2022.png?direct&300 |}}
+-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)]]
+-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)]]
+-09-16 A DIRAC21 patch is out, fixing [[http://diracprogram.org/doc/release-21/patches/CHANGELOG.html|these]] issues. The big green button above takes you to the new code.
+-09-02 A one-day DIRAC workshop was held by zoom. Good discussions and bugfixes !
+{{ ::diracws_sep2021.png?direct&300 |}}
+-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)]]
 -05-28 The DIRAC meeting concluded with the **release of DIRAC21**!
@@ Line 15: / Line 85: @@
 {{:dirac21meeting.png?direct&300|}}
--03-16 New paper: Johann V. Pototschnig, Anastasios Papadopoulos, Dmitry I. Lyakh, Michal Repisky, Loïc Halbert, André Severo Pereira Gomes, Hans Jørgen Aa. Jensen, Lucas Visscher // Implementation of relativistic coupled cluster theory for massively parallel GPU-accelerated computing architectures // [[https://arxiv.org/abs/2103.08473|(arXiv)]]
+-03-16 New paper: Johann V. Pototschnig, Anastasios Papadopoulos, Dmitry I. Lyakh, Michal Repisky, Loïc Halbert, André Severo Pereira Gomes, Hans Jørgen Aa. Jensen, Lucas Visscher // Implementation of relativistic coupled cluster theory for massively parallel GPU-accelerated computing architectures //[[https://pubs.acs.org/doi/10.1021/acs.jctc.1c00260|(electronic version)]] [[https://arxiv.org/abs/2103.08473|(arXiv)]]