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Parallelization of four-component calculations. I. Integral generation, SCF, and four-index transformation in the Dirac-Fock package MOLFDIR.
Markus Pernpointner
Lucas Visscher
Wibe A. de Jong
Ria Broer
Published in:
J. Comput. Chem. (2000)
Keyphrases
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database
parallel processing
case study
generation process
similarity measure
b tree
indexing scheme