Optimization techniques in energy calculations involving the Hartree-Fock density matrix (Q1321298)
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scientific article; zbMATH DE number 557793
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Optimization techniques in energy calculations involving the Hartree-Fock density matrix |
scientific article; zbMATH DE number 557793 |
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Optimization techniques in energy calculations involving the Hartree-Fock density matrix (English)
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27 April 1994
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energy calculations
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optimum density matrix
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single determinant wave function
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molecular system
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0.8463458
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0.84472716
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0.8432523
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0.8414445
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0.83910376
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0.8389646
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0.8377755
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