Mathematical aspects of the LCAO MO first order density function. V: Centroid shifting of MO shape functions basis set, properties and applications (Q1936976)
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scientific article; zbMATH DE number 6135297
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Mathematical aspects of the LCAO MO first order density function. V: Centroid shifting of MO shape functions basis set, properties and applications |
scientific article; zbMATH DE number 6135297 |
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Mathematical aspects of the LCAO MO first order density function. V: Centroid shifting of MO shape functions basis set, properties and applications (English)
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11 February 2013
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density function (DF)
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SCF theory
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MO shape functions (ShF)
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MO ShF centroid
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MO centroid shifted ShF
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ionization potentials
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atomic shell approximation DF
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