CCL: interesting article in Science on DFT



 Sent to CCL by: Susi Lehtola [susi.lehtola---alumni.helsinki.fi]
 On 01/26/2017 10:16 AM, Thomas Manz thomasamanz_._gmail.com wrote:
 
 A recent issue of Science contained an interesting article "Density
 functional theory is
 straying from the path toward the exact functional"[1].
 
 This has already been discussed on the list in the thread
  "DFT discovers it's recapitulating QSAR"
 I'd like to repeat my arguments in
 http://www.ccl.net/cgi-bin/ccl/message-new?2017+01+06+006
 
that you could rewrite the result of the study as a much less catching "Minnesota functionals fail to reproduce electron density in small atoms and cations"
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 Mr. Susi Lehtola, PhD             Chemist Postdoctoral Fellow
 susi.lehtola-x-alumni.helsinki.fi   Lawrence Berkeley National Laboratory
 http://www.helsinki.fi/~jzlehtol  USA
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