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start [2020/04/14 17:09] – [News] visscher | start [2021/07/05 09:14] – 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.3572669|{{: | + | Get the latest DIRAC version here (**open access**): [[https://zenodo.org/record/4836496|{{: |
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===== News ===== | ===== News ===== | ||
+ | 2021-07-05 New paper: Ayaki Sunaga and Trond Saue:// | ||
- | 2020-04-10 New paper: Susi Lehtola, Lucas Visscher, Eberhard Engel: //Efficient implementation of the superposition | + | 2021-05-28 The DIRAC meeting concluded with the **release |
+ | 2021-05-25: The 24th DIRAC meeting has started. | ||
- | 2020-01-20 New paper: Nanna Holmgaard List, Timothé Romain Léo Melin, Martin van Horn and Trond Saue: //Beyond the electric-dipole approximation in simulations of X-ray absorption spectroscopy: | + | {{: |
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+ | 2021-03-16 New paper: Johann V. Pototschnig, | ||
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+ | 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// | ||
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+ | 2020-11-06 New paper: | ||
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+ | 2020-11-02 New paper: | ||
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+ | 2020-09-21 New paper: Bruno Senjean, Souloke Sen, Michal Repisky, Gerald Knizia and Lucas Visscher // | ||
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+ | 2020-06-13 New paper: Elke Fasshauer: //Effect of spin–orbit coupling on decay widths of electronic decay processes//, | ||
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+ | 2020-06-03: The 23rd DIRAC meeting has started. | ||
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+ | {{: | ||
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+ | 2020-04-10 New paper: Susi Lehtola, Lucas Visscher, Eberhard Engel: //Efficient implementation of the superposition of atomic potentials initial guess for electronic structure calculations in Gaussian basis sets//, J. Chem. Phys. 152 (2020) 144105 [[ https:// | ||
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+ | 2020-01-20 New paper: Nanna Holmgaard List, Timothé Romain Léo Melin, Martin van Horn and Trond Saue: //Beyond the electric-dipole approximation in simulations of X-ray absorption spectroscopy: | ||
2020-03-11 New paper : Loic Halbert, Malgorzata Olejniczak, Valerie Vallet and Andre Severo Pereira Gomes : // | 2020-03-11 New paper : Loic Halbert, Malgorzata Olejniczak, Valerie Vallet and Andre Severo Pereira Gomes : // | ||
Investigating solvent effects on the magnetic properties of molybdate ions (MoO< | Investigating solvent effects on the magnetic properties of molybdate ions (MoO< | ||
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2020-03-06 New paper : Malgorzata Olejniczak, Andre Severo Pereira Gomes and Julien Tierny : // | 2020-03-06 New paper : Malgorzata Olejniczak, Andre Severo Pereira Gomes and Julien Tierny : // | ||
A Topological Data Analysis perspective on noncovalent interactions in relativistic calculations//, | A Topological Data Analysis perspective on noncovalent interactions in relativistic calculations//, | ||
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2020-02-14 New paper: Trond Saue //et al.// : //The DIRAC code for relativistic molecular calculations | 2020-02-14 New paper: Trond Saue //et al.// : //The DIRAC code for relativistic molecular calculations | ||
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2019-05-29 **New DIRAC author ! ** The citation of DIRAC makes a distinction between authors and contributors, | 2019-05-29 **New DIRAC author ! ** The citation of DIRAC makes a distinction between authors and contributors, | ||
- | 2019-05-29 The 22nd DIRAC meeting has ended. Stay tuned for the 2019 release, scheduled for the end of the year !{{ :: | + | 2019-05-29 The 22nd DIRAC meeting has ended. Stay tuned for the 2019 release, scheduled for the end of the year !{{ :: |
start.txt · Last modified: 2024/06/05 15:07 by tsaue