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start [2018/05/15 15:32]
stefan [News]
start [2018/12/28 21:51] (current)
aspg [News]
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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: [[http://dirac.chem.sdu.dk/​DIRAC17/​|{{:​marketing:​download-button.png|Download the latest version}}]]+Get the latest DIRAC version here (**open access**): [[https://doi.org/10.5281/zenodo.2253986|{{:​marketing:​download-button.png|Download the latest version}}]]
  
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 ===== News ===== ===== News =====
 +
 +2018-12-28 New paper: Yassine Bouchafra, Avijit Shee, Florent Real, Valerie Vallet and Andre Severo Pereira Gomes,//​Predictive Simulations of Ionization Energies of Solvated Halide Ions with Relativistic Embedded Equation of Motion Coupled Cluster Theory//, Physical Review Letters 121, 266001 (2018) [[https://​doi.org/​10.1103/​PhysRevLett.121.266001|(electronic version)]][[https://​arxiv.org/​abs/​1811.01902|(arXiv)]]
 +
 +2018-12-12 **DIRAC18 is here !! ** A novelty this year is open access through the [[https://​en.wikipedia.org/​wiki/​Zenodo|zenodo]] repository; you can get the source by a smiple click on the above link. All users are most welcome to join our [[http://​groups.google.com/​group/​dirac-users|mailing list]]. ​
 +
 +2018-11-12 New paper: Benjamin Helmich-Paris,​ Michal Repisky, and Lucas Visscher,//​Relativistic Cholesky-decomposed density matrix MP2//, Chemical Physics 518 (2019) 38–46 [[https://​doi.org/​10.1016/​j.chemphys.2018.11.009|(electronic version)]][[https://​arxiv.org/​abs/​1810.05232|(arXiv)]]
 +
 +2018-10-29 New paper: Stefan Knecht, Hans Jørgen Aa. Jensen and Trond Saue, //​Relativistic quantum chemical calculations show that the uranium molecule U2 has a quadruple bond//, Nature Chemistry (2018) [[https://​doi.org/​10.1038/​s41557-018-0158-9|(online)]]
 +
 +2018-08-27 New paper : Avijit Shee, Trond Saue, Lucas Visscher and Andre Severo Pereira Gomes //​Equation-of-Motion Coupled-Cluster Theory based on the 4-component Dirac-Coulomb(-Gaunt) Hamiltonian. Energies for single electron detachment, attachment and electronically excited states// ​ J. Chem. Phys. 149, 174113 (2018) [[https://​doi.org/​10.1063/​1.5053846|(electronic version)]][[https://​arxiv.org/​abs/​1808.08205|(arXiv)]]
 +
 +2018-07-02 New paper: (and perhaps the first official appearance of DIRAC in High-Energy Physics)://
 +Timo Fleig and Martin Jung//
 +Model-independent determinations of the electron EDM and the role of diamagnetic atoms// ​
 +J High Energy Phys (JHEP) 07 (2018) 012 
 +[[https://​link.springer.com/​article/​10.1007/​JHEP07%282018%29012|(electronic version)]]//​
 +
 +
 +2018-06-18 [[https://​www.chem.vu.nl/​~visscher/​Visscher_Group/​People.html|Lucas Visscher]] has been elected member of the [[http://​www.iaqms.org/​index.php|International Academy of Quantum Molecular Science]]. Congratulations,​ Luuk !!! {{ ::​luuk.jpg?​nolink&​200 |}}
 +
 +2018-05-30 The 21th DIRAC meeting
 +
 +{{dirac18.jpg?​direct&​500 |}}
 +First row: Erik Kjellgren, Odense; Ayaki Sunaga, Toulouse; Yongliang Hao, Groningen. Second row: Martin van Horn, Amsterdam; Pi Haase, Groningen; Andre Gomes, Lille. Third row: Hans Jørgen Aa. Jensen, Odense; Trond Saue, Toulouse; ​ Tjerk Straatsma, Oak Ridge. From left: Loic Halbert, Lille; Radovan Bast, Tromsø; Eugene Gvozdetsky, Amsterdam; Gosia Olejniczak, Warsaw; Miroslav Iliaš, Banská Bystrica; Luuk Visscher, Amsterdam.
 +
 +2018-05-28 **The 21th DIRAC meeting has started on Odense**.
 +
 +{{dirac_2018a.jpg?​direct&​500 |}}From left: Miro Iliaš, Banská Bystrica; ​ Ayaki Sunaga, Toulouse; Hans Jørgen Aa. Jensen, Odense; Yongliang Hao, Groningen; ​ Eugene Gvozdetsky, Amsterdam; Tjerk Straatsma, Oak Ridge; Pi Haase, Groningen; Martin van Horn, Amsterdam
 +
 +\\
 +
 +{{dirac_2018b.jpg?​direct&​500 |}}From left: Pi Haase, Groningen; Martin van Horn, Amsterdam; Gosia Olejniczak, Warsaw; Andre Gomes, Lille; Loic Halbert, Lille; Erik Kjellgren, Odense; Radovan Bast, Tromsø; Luuk Visscher, Amsterdam
 +
 +\\
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 +
  
 2018-03-20 New paper: S. Battaglia, S. Keller, and S. Knecht:// 2018-03-20 New paper: S. Battaglia, S. Keller, and S. Knecht://
start.1526391153.txt.gz · Last modified: 2018/05/15 15:32 by stefan