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Marcel (∞) Swart
marcelswart.bsky.social
did:plc:mpmfpwsii6cykkaz3kmmkxdr
Up until 2003 I always used the BP86 density functional because it is numerically very stable, gives good geometries and is available in every DFT program.
Then I found it was wrong, so wrong, for spin states.
And thus began the journey...
2023-08-07T06:17:42.661Z