User Tools

Site Tools


start

Differences

This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revisionPrevious revision
Next revision
Previous revision
Next revisionBoth sides next revision
start [2018/11/07 21:21] aspgstart [2019/06/03 10:42] 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: [[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)]]
Line 23: Line 40:
 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 |}}
Line 292: Line 309:
 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.txt · Last modified: 2024/02/21 16:42 by tsaue

Donate Powered by PHP Valid HTML5 Valid CSS Driven by DokuWiki