Parallel aspects of quantum molecular dynamics simulations of liquids (Q1578163)
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scientific article; zbMATH DE number 1496511
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Parallel aspects of quantum molecular dynamics simulations of liquids |
scientific article; zbMATH DE number 1496511 |
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Parallel aspects of quantum molecular dynamics simulations of liquids (English)
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19 January 2003
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linear scaling methods
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parallel computing
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Born-Oppenheimer quantum molecular dynamics
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electronic structure calculations
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electron correlation corrections
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liquid water
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ab initio Hartree-Fock level
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0.7405384182929993
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0.7353215217590332
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0.728206217288971
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0.7234887480735779
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