Communication: Recovering the flat-plane condition in electronic structure theory at semi-local DFT cost
The flat-plane condition is the union of two exact constraints in electronic structure theory: (i) energetic piecewise linearity with fractional electron removal or addition and (ii) invariant energetics with change in electron spin in a half filled orbital. Semi-local density functional theory (DFT...
| Main Authors: | , , |
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| Other Authors: | , |
| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing,
2019-02-28T16:54:40Z.
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| Subjects: | |
| Online Access: | Get fulltext |