Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory (Q1613813): Difference between revisions
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Latest revision as of 15:27, 4 June 2024
scientific article
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory |
scientific article |
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Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory (English)
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2 September 2002
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pseudopotential
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total energy
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electronic structure
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density functional
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local density
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generalized gradient
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local-density approximation
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generalized gradient approximation
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