exercises:2015_pitt:hfx
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| Both sides previous revisionPrevious revision | Next revisionBoth sides next revision | ||
| exercises:2015_pitt:hfx [2015/03/04 12:16] – [Truncated Coulomb operator] vondele | exercises:2015_pitt:hfx [2015/03/04 12:26] – [2nd task: PBE0-D3 water] vondele | ||
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| * How to detect instabilities due to too aggressive screening. | * How to detect instabilities due to too aggressive screening. | ||
| - | Question: What is the HOMO-LUMO gap for this configuration ? How does this compare to the GGA result ? | + | Question: What is the HOMO-LUMO gap for this configuration ? How does this compare to the GGA result |
| ===== Truncated Coulomb operator with long range correction ===== | ===== Truncated Coulomb operator with long range correction ===== | ||
exercises/2015_pitt/hfx.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1