Switching between OPTX and PBE exchange functionals (Q3181673)
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scientific article
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Switching between OPTX and PBE exchange functionals |
scientific article |
Statements
Switching between OPTX and PBE exchange functionals (English)
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12 October 2009
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spin-state energy
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reaction barrier
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exchange functional
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0.69650996
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0.6870189
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0.6824694
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