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Browsing by Subject "order-N methods"

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  • thumbnail.journal.alt
    Item type:Article, Access status: Open Access ,
    Elongation cutoff technique: parallel performance
    (Wydawnictwa AGH, 2008) Korchowiec, Jacek; Lewandowski, Jakub
    It is demonstrated that the elongation cutoff technique (ECT) substantially speeds up the quantum-chemical calculation at Hartree-Fock (HF) level of theory and is especially well suited for parallel performance. A comparison of ECT timings for water chains with the reference HF calculations is given. The analysis includes the overall CPU (central processing unit) time and its most time consuming steps.