software . 2019

DIRAC19

Gomes, A. S. P.; Saue, T.; Visscher, L.; Jensen, H. J. Aa.; Bast, R.; Aucar, I. A.; Bakken, V.; Dyall, K. G.; Dubillard, S.; Ekström, U.; ...
Open Source
  • Published: 12 Dec 2019
  • Publisher: Zenodo
Abstract
<p>DIRAC: Program for Atomic and Molecular Direct Iterative Relativistic All-electron Calculations.</p> <p>Project website: <a href="http://diracprogram.org">http://diracprogram.org</a></p> <p><br> The DIRAC program computes molecular properties using relativistic quantum chemical methods. It is named after P.A.M. Dirac, the father of relativistic electronic structure theory.</p>
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Zenodo
Software . 2019
Provider: Datacite
Zenodo
Software . 2019
Provider: Zenodo
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