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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://zenodo.org/record/4836496|{{: | + | Get the latest DIRAC version here (**open access**): [[https://doi.org/10.5281/zenodo.6010449|{{: |
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===== News ===== | ===== News ===== | ||
+ | |||
+ | 2022-05-30: The 25th DIRAC meeting has started ! | ||
+ | |||
+ | {{:: | ||
+ | |||
+ | 2022-04-26 New paper: Ayaki Sunaga and Timo Fleig, | ||
+ | // | ||
+ | [[https:// | ||
+ | |||
+ | 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:// | ||
+ | |||
+ | 2022-02-08 **DIRAC22 is released !** At the same time DIRAC goes [[https:// | ||
+ | |||
+ | 2022-02-11 New paper: M. Rodríguez-Mayorga, | ||
+ | // Relativistic reduced density matrix functional theory | ||
+ | // [[https:// | ||
+ | |||
+ | 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:// | ||
+ | |||
+ | 2022-01-17 A one-day DIRAC hackathon was held by zoom. Good discussions and bugfixes ! | ||
+ | {{ :: | ||
+ | |||
+ | 2021-12-14 New paper: Joel Creutzberg and Erik D. Hedegård | ||
+ | // | ||
+ | // [[https:// | ||
+ | |||
+ | 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:// | ||
+ | |||
+ | |||
+ | 2021-09-16 A DIRAC21 patch is out, fixing [[http:// | ||
+ | |||
+ | 2021-09-02 A one-day DIRAC workshop was held by zoom. Good discussions and bugfixes ! | ||
+ | {{ :: | ||
+ | |||
+ | 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:// | ||
+ | |||
2021-05-28 The DIRAC meeting concluded with the **release of DIRAC21**! | 2021-05-28 The DIRAC meeting concluded with the **release of DIRAC21**! | ||
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{{: | {{: | ||
- | 2021-03-16 New paper: Johann V. Pototschnig, | + | 2021-03-16 New paper: Johann V. Pototschnig, |
2020-11-18 New paper: Loïc Halbert, Marta Lopez Vidal, Avijit Shee, Sonia Coriani, André Severo Pereira Gomes // Relativistic EOM-CCSD for core-excited and core-ionized state energies based on the 4-component Dirac-Coulomb(-Gaunt) Hamiltonian// | 2020-11-18 New paper: Loïc Halbert, Marta Lopez Vidal, Avijit Shee, Sonia Coriani, André Severo Pereira Gomes // Relativistic EOM-CCSD for core-excited and core-ionized state energies based on the 4-component Dirac-Coulomb(-Gaunt) Hamiltonian// | ||
+ | {{ : | ||
2020-11-06 New paper: | 2020-11-06 New paper: |
start.txt · Last modified: 2024/02/21 16:42 by tsaue