Mathematical aspects of the LCAO MO first order density function. III: A general localization procedure (Q937650)
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scientific article; zbMATH DE number 5312638
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| English | Mathematical aspects of the LCAO MO first order density function. III: A general localization procedure |
scientific article; zbMATH DE number 5312638 |
Statements
Mathematical aspects of the LCAO MO first order density function. III: A general localization procedure (English)
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15 August 2008
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MO theory
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MO localization
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one electron operators
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MO unitary transformations
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elementary Jacobi rotations
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0.7630926966667175
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0.7266709804534912
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0.7168444395065308
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0.6625657677650452
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0.6517512202262878
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