CCL: interesting article in Science on DFT
- From: Susi Lehtola <susi.lehtola^^^alumni.helsinki.fi>
- Subject: CCL: interesting article in Science on DFT
- Date: Thu, 26 Jan 2017 13:56:53 -0800
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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