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 / DOI: 10.1016/j.cpc.2015.01.003 / rank | |||
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| Property / cites work: Q3243972 / rank | |||
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| Property / cites work: Ab initio molecular simulations with numeric atom-centered orbitals / rank | |||
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| Property / DOI: 10.1016/J.CPC.2015.01.003 / rank | |||
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Latest revision as of 14:05, 9 December 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 |
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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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