All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals (Q311588): Difference between revisions
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| Property / Mathematics Subject Classification ID: 74A25 / rank | |||
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| Property / Mathematics Subject Classification ID: 81V45 / rank | |||
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| Property / zbMATH DE Number | |||
| Property / zbMATH DE Number: 6626814 / rank | |||
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| Property / zbMATH Keywords | |||
stress tensor | |||
| Property / zbMATH Keywords: stress tensor / rank | |||
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strain derivatives | |||
| Property / zbMATH Keywords: strain derivatives / rank | |||
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density-functional theory | |||
| Property / zbMATH Keywords: density-functional theory / rank | |||
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hybrid functionals | |||
| Property / zbMATH Keywords: hybrid functionals / rank | |||
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atom-centered basis functions | |||
| Property / zbMATH Keywords: atom-centered basis functions / rank | |||
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| Property / MaRDI profile type: Publication / rank | |||
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| Property / OpenAlex ID | |||
| Property / OpenAlex ID: W2098107542 / rank | |||
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| Property / Wikidata QID | |||
| Property / Wikidata QID: Q61313913 / rank | |||
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| Property / cites work | |||
| Property / cites work: Q3243972 / rank | |||
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| Property / cites work | |||
| Property / cites work: Ab initio molecular simulations with numeric atom-centered orbitals / rank | |||
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Revision as of 14:31, 12 July 2024
scientific article
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals |
scientific article |
Statements
All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals (English)
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13 September 2016
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stress tensor
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strain derivatives
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density-functional theory
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hybrid functionals
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atom-centered basis functions
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