Re:Is Quantum Entanglement Real?
by chm on Saturday November 15, 2014 @02:16AM
(#8611102)
Hmmm...
DFT is a method. It has been used by physicists for the last 40 years to model the solid state. What you put forward in your third paragraph is not quite right - things are more subtle.
What you seem to be suggesting is that we should be free of the Kohn-Sham framework[1,2] or find the exact XC functional. Not surprisingly, the results of calculations depend on how the functionals were constructed. But that doesn't mean "DFT" is bad. DFT's just the method. There is no approximation in DFT. It is in itself exact for the description of the ground state.
Re:Is Quantum Entanglement Real?
by Xcelerate on Saturday November 15, 2014 @02:49AM
(#8611146)
Yeah, I know. My rant further down the page on inaccuracies in teaching is coming back to haunt me now. Ironic, isn't it? I was glossing over specifics and loosely conflating concepts to form a point.
DFT is a method. It has been used by physicists for the last 40 years to model the solid state. What you put forward in your third paragraph is not quite right - things are more subtle.
What you seem to be suggesting is that we should be free of the Kohn-Sham framework[1,2] or find the exact XC functional. Not surprisingly, the results of calculations depend on how the functionals were constructed. But that doesn't mean "DFT" is bad. DFT's just the method. There is no approximation in DFT. It is in itself exact for the description of the ground state.
[1]:https://www.princeton.edu/mae/people/faculty/carter/ecdocs/E... [2]: http://scitation.aip.org/content/aip/journal/jcp/127/2/10.10...