Coupling relations between molecular electronic and geometrical degrees of freedom in density functional theory and charge sensitivity analysis (Q4532698)
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scientific article; zbMATH DE number 1750056
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Coupling relations between molecular electronic and geometrical degrees of freedom in density functional theory and charge sensitivity analysis |
scientific article; zbMATH DE number 1750056 |
Statements
Coupling relations between molecular electronic and geometrical degrees of freedom in density functional theory and charge sensitivity analysis (English)
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29 June 2003
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charge sensitivity analysis
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chemical hardness/softness parameter
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closed/open molecular systems
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ground-state coupling transformations
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mapping relations
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relaxation of geometrical and electronic structures
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