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Macroconveyor asynchronic calculations of structural functions

โœ Scribed by S. P. Gorlach


Publisher
Springer US
Year
1984
Tongue
English
Weight
596 KB
Volume
19
Category
Article
ISSN
1573-8337

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Unconstrained Energy Functionals for Ele
โœ Bernd G Pfrommer; James Demmel; Horst Simon ๐Ÿ“‚ Article ๐Ÿ“… 1999 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 88 KB

The performance of conjugate gradient schemes for minimizing unconstrained energy functionals in the context of condensed matter electronic structure density functional calculations is studied. The unconstrained functionals allow a straightforward application of conjugate gradients by removing the e