Dirac Program

Documentation

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Usage and basis sets

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Latest news (See the news archive for old news)

• 2010-01-27 "Relativistic double-zeta, triple-zeta, and quadruple-zeta basis sets for the lanthanides La–Lu", by Andre Severo Pereira Gomes, Kenneth G. Dyall and Lucas Visscher, Theor. Chem. Acc., published online January 22, 2010..

• 2010-01-07 "Large-scale parallel configuration interaction. II. Two- and four-component double-group general active space implementation with application to BiH", by Stefan Knecht, Hans Jørgen Aa. Jensen, and Timo Fleig, J. Chem. Phys.,132 (2010) 014108 .

• 2009-12-23 "Revised relativistic basis sets for the 5d elements Hf–Hg", by Kenneth G. Dyall and Andre Severo Pereira Gomes, Theor. Chem. Acc., 125, 97 (2009)..

• 2009-10-12 "Gauge origin independent calculations of nuclear magnetic shieldings in relativistic four-component theory", by Miroslav Ilias, Trond Saue, Thomas Enevoldsen and Hans Jørgen Aa. Jensen, J. Chem. Phys.,131 (2009) 124119 .

• 2009-10-12 "The molecular mean-field approach for correlated relativistic calculations", by Jetze Sikkema, Lucas Visscher, Trond Saue, and Miroslav Ilias, J. Chem. Phys.,131 (2009) 124116 .

• 2009-08-27 Participants of the DIRAC09 group meeting held Aug 24-26 in Odense.

Front row: Emmanuel Fromager (Strasbourg), Radovan Bast (Tromsø), Trond Saue (Strasbourg), Ossama Kullie (Strasbourg), Paul Bagus (UNT, Denton)
Back row: Timo Fleig (Toulouse), Andre Gomes (Lille), Pawel Tecmer (Amsterdam), Ephraim Eliav (Tel Aviv), Kenneth Ruud (Tromsø), Lucas Visscher (Amsterdam), Hans Jørgen Aagaard Jensen (Odense)

Any DIRAC developer is free to post news here. This includes links to publications of general interest to the DIRAC community.