Efficient symmetry treatment for the nonrelativistic and relativistic molecular Kohn-Sham problem. The symmetry module of the program ParaGauss - researchr publication authors

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Alexei V. Matveev, Markus Mayer, Notker Rösch. Efficient symmetry treatment for the nonrelativistic and relativistic molecular Kohn-Sham problem. The symmetry module of the program ParaGauss. Computer Physics Communications, 160(2):91-119, 2004. [doi]

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