A general parallel sparse-blocked matrix multiply for linear scaling SCF theory (Q1578127)
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scientific article; zbMATH DE number 1496497
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | A general parallel sparse-blocked matrix multiply for linear scaling SCF theory |
scientific article; zbMATH DE number 1496497 |
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A general parallel sparse-blocked matrix multiply for linear scaling SCF theory (English)
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23 January 2003
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self-consistent-field (SCF) theory
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overlap computation and communication
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simplified density matrix minimization
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RHF/6-31G\(^{**}\) water clusters
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RHF/3-21G estane globules
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