Mathematical aspects of the LCAO MO first order density function. I: Atomic partition, metric structure and practical applications (Q937651)
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| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Mathematical aspects of the LCAO MO first order density function. I: Atomic partition, metric structure and practical applications |
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Mathematical aspects of the LCAO MO first order density function. I: Atomic partition, metric structure and practical applications (English)
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15 August 2008
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first order density function
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Mulliken populations
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atomic basis set
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Minkowski density function partition
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quantum similarity measures
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comparison of two density functions on the same molecule
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