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Efficient symmetry treatment for the nonrelativistic and relativistic molecular Kohn-Sham problem. The symmetry module of the program ParaGauss.
Alexei V. Matveev
Markus Mayer
Notker Rösch
Published in:
Comput. Phys. Commun. (2004)
Keyphrases
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symmetry detection
bilateral symmetry
database
real time
data sets
information systems
e learning
three dimensional
database systems
cost effective
program execution
medial axes
rotational symmetry