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Ab initio quantum chemistry on PC-based parallel supercomputers

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Publication:1575586
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DOI10.1016/S0167-8191(00)00024-7zbMath0947.68581WikidataQ56958993 ScholiaQ56958993MaRDI QIDQ1575586

Jon Baker, M. Shirel

Publication date: 21 August 2000

Published in: Parallel Computing (Search for Journal in Brave)


zbMATH Keywords

LinuxParallel virtual machineQuantum chemistryAb initio programPC-clusters


Mathematics Subject Classification ID

Computing methodologies and applications (68U99)


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Efficient \(O(N)\) integration for all-electron electronic structure calculation using numeric basis functions



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