Curtis L. Janssen, Ida M. B. Nielsen

Parallel Computing in Quantum Chemistry (eBook, ePUB)

• Format: ePub

Produktbeschreibung

An In-Depth View of Hardware Issues, Programming Practices, and Implementation of Key Methods

Exploring the challenges of parallel programming from the perspective of quantum chemists, Parallel Computing in Quantum Chemistry thoroughly covers topics relevant to designing and implementing parallel quantum chemistry programs.

Focu

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Produktdetails

• Verlag: Taylor & Francis eBooks
• Erscheinungstermin: 9. April 2008
• Englisch
• ISBN-13: 9781040209448
• Artikelnr.: 73302759

Autorenporträt

Janssen, Curtis L.; Nielsen, Ida M. B.

Inhaltsangabe

Introduction. Parallel Computer Architectures. Communication via Message
Passing. Multi
Threading.Parallel Performance Evaluation.Parallel Program Design.Two
Electron Integral Evaluation.The Hartree
Fock Method.Second
Order Møller
Plesset Perturbation Theory.Local Møller
Plesset Perturbation Theory. Appendices. Index.