start
Differences
This shows you the differences between two versions of the page.
| Both sides previous revision Previous revision Next revision | Previous revision | ||
|
start [2021/09/02 17:29] tsaue |
start [2022/04/11 09:31] (current) tsaue |
||
|---|---|---|---|
| Line 4: | Line 4: | ||
| 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://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.6010449|{{:marketing:download-button.png|Download the latest version}}]] |
| ---- | ---- | ||
| ===== News ===== | ===== News ===== | ||
| + | |||
| + | 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)]] | ||
| + | |||
| + | |||
| + | 2021-09-16 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. | ||
| + | |||
| 2021-09-02 A one-day DIRAC workshop was held by zoom. Good discussions and bugfixes ! | 2021-09-02 A one-day DIRAC workshop was held by zoom. Good discussions and bugfixes ! | ||
| {{ ::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//[[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**! | ||
| Line 20: | Line 49: | ||
| {{:dirac21meeting.png?direct&300|}} | {{:dirac21meeting.png?direct&300|}} | ||
| - | 2021-03-16 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)]] | + | 2021-03-16 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)]] |
start.1630596557.txt.gz · Last modified: 2021/09/02 17:29 by tsaue
Page Tools
