Parallelization of SCF calculations within Q-Chem (Q1578142)
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scientific article; zbMATH DE number 1496502
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| English | Parallelization of SCF calculations within Q-Chem |
scientific article; zbMATH DE number 1496502 |
Statements
Parallelization of SCF calculations within Q-Chem (English)
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11 February 2003
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dynamic load balance
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Hartree-Fock and DFT modules
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single point energy and gradient calculations
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0.7901641726493835
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0.7771520018577576
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0.7740218043327332
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0.7673199772834778
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