An efficient algorithm for the determination of force constants and displacements in numerical definitions of a large, general order Taylor series expansion (Q1703402)
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scientific article; zbMATH DE number 6846166
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | An efficient algorithm for the determination of force constants and displacements in numerical definitions of a large, general order Taylor series expansion |
scientific article; zbMATH DE number 6846166 |
Statements
An efficient algorithm for the determination of force constants and displacements in numerical definitions of a large, general order Taylor series expansion (English)
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2 March 2018
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Taylor series
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Cartesian product
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numerical differentiation
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potential energy surfaces
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polycyclic aromatic hydrocarbons
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0.6597699522972107
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0.6464892625808716
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0.6283044815063477
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