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start [2018/11/07 21:21]
aspg
start [2019/06/03 10:42] (current)
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: [[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}}]]
  
 ---- ----
  
 ===== News ===== ===== News =====
 +
 +2019-05-30 New paper: Paul S. Bagus, Connie J. Nelin, C. R. Brundle and Scott A. Chambers,// A New Mechanism for XPS Line Broadening: The 2p-XPS of Ti(IV)//, The Journal of Physical Chemistry C 123, 7705 (2019) [[https://​doi.org/​10.1021/​acs.jpcc.8b05576|(electronic version)]]
 +
 +2019-05-29 **New DIRAC author ! ** The citation of DIRAC makes a distinction between authors and contributors,​ the former being active developers over many years who also do significant community service to keep the program ​ in shape. This description certainly fits [[http://​www.phlam.univ-lille1.fr/​spip.php?​article531&​lang=en|André Severo Pereira Gomes]]. Congratulations !
 +
 +2019-05-29 The 22nd DIRAC meeting has ended. Stay tuned for the 2019 release, scheduled for the end of the year !{{ ::​dirac2019photo.jpg?​direct&​600 |}}
 +
 +
 +2019-05-26 **The 22nd DIRAC meeting has started !**
 +{{ :​dirac2019.jpg?​direct&​600 |}}
 +First row: Marta Lopez Vidal, Copenhagen; ​ Anna Kristina Schnack-Petersen,​ Copenhagen; Ayaki Sunaga, Toulouse; Johann Pototschnig,​ Amsterdam; Alexander Efremov, Toulouse; Michal Repisky, Tromsø; Erik Hedegård, Lund; Pi Haase, Groningen; Joel Creutzberg, Lund; Eugene Gvozdetsky, Amsterdam; Radovan Bast, Tromsø; Martin van Horn, Toulouse; Stan Papadopoulos,​ Amsterdam; Peter Reinholdt, Odense; Erik Kjellgren, Odense; Gosia Olejniczak, Warsaw; Andre Gomes, Lille; Luuk Visscher, Amsterdam; [Trond Saue, Toulouse, taking the photo], Hans Jørgen Aa. Jensen, Odense; Maen Salman, Toulouse
 +
 +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)]] 2018-10-29 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)]]
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 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 |}} 2018-06-18 [[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+2018-05-30 The 21st DIRAC meeting
  
 {{dirac18.jpg?​direct&​500 |}} {{dirac18.jpg?​direct&​500 |}}
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 Hosting for this website is kindly provided by the [[http://​www.umb.sk|Matej Bel University, Slovakia]]. Hosting for this website is kindly provided by the [[http://​www.umb.sk|Matej Bel University, Slovakia]].
  
-Suggestions/​questions/​comments about this website? Please write to Radovan Bast (lastname ​at kth dot se).+Suggestions/​questions/​comments about this website? Please write to Radovan Bast (firstname.lastname@uit.no).
start.1541622119.txt.gz · Last modified: 2018/11/07 21:21 by aspg