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Massively parallel spin–orbit configuration interaction

✍ Scribed by Jeffrey L. Tilson,Walter C. Ermler


Book ID
126342119
Publisher
Springer
Year
2014
Tongue
English
Weight
507 KB
Volume
133
Category
Article
ISSN
1432-2234

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A massively parallel multireference conf
✍ Dachsel, Holger; Lischka, Hans; Shepard, Ron; Nieplocha, Jaroslaw; Harrison, Rob 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 283 KB 👁 1 views

A massively parallel version of the configuration interaction CI section of the Ž . COLUMBUS multireference singles and doubles CI MRCISD program system is described. In an extension of our previous parallelization work, which was Ž . based on message passing, the global array GA toolkit has now bee