Pulay forces in density functional theory for periodic and molecular systems (Q1604998)
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scientific article; zbMATH DE number 1765893
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Pulay forces in density functional theory for periodic and molecular systems |
scientific article; zbMATH DE number 1765893 |
Statements
Pulay forces in density functional theory for periodic and molecular systems (English)
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10 July 2002
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computing force cost
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single self-consistent field cycle
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0.8433673
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0.8406115
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0.8380491
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0.8240539
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0.8240312
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0.82336897
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0.82239664
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0.82103133
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