- #1

Morberticus

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A somewhat strange request. I have come across this paper:

http://jcp.aip.org/resource/1/jcpsa6/v98/i7/p5648_s1

It lists hybrid DFT results for dissociation calculations. I am looking for DFT calculations that are not as phenomenological, but can't seem to find any in the literature. Are there DFT calculations out there with less empirical functionals/less fitting to experiment? Or should I just fire up my own DFT calculations with, say Turbomole to acquire "dumb" DFT results?

http://jcp.aip.org/resource/1/jcpsa6/v98/i7/p5648_s1

It lists hybrid DFT results for dissociation calculations. I am looking for DFT calculations that are not as phenomenological, but can't seem to find any in the literature. Are there DFT calculations out there with less empirical functionals/less fitting to experiment? Or should I just fire up my own DFT calculations with, say Turbomole to acquire "dumb" DFT results?

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