[Wien] EECE/HYBR question
John Appleton
banger_deep at yahoo.com
Sat Jul 19 15:14:02 CEST 2008
Dear users,
Can anyone refer me to a paper that discusses or give me simple
physical arguments on why EECE/HYBR increase the total energies
compared to pure DFT and also why increasing the amount of HF
exchange tend to increase the localization of d/f states.
Thanks
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