On Friday, June 5, 2009 at 21:02, akohlmey at cmm.chem.upenn.edu wrote: > On Fri, 2009-06-05 at 18:29 +0800, Hongsheng Zhao wrote: >> Dear all, >> >> I've learned that time dependent density functional theory, but never >> learned that how to something like temperature dependent density >> functional theory. I want to know whether it is possible to do >> temperature dependent density functional theory within the frame of >> DFT?
> dear hongsheng zhao, > would you mind to explain to ignorant people like > me, Perhaps this should be said by me :-) > what "Temperature dependent DFT" would encompass. In my mind, all the first principles/ab initio calculations only work under 0K, so I want to know whether can I do the first principles/ab initio calculations under other temperatures other than 0K, especially under some temperatures around room temperature? Kind regards, -- Hongsheng Zhao <zhaohscas at yahoo.com.cn> Xinjiang Technical Institute of Physics and Chemistry Chinese Academy of Sciences GnuPG DSA: 0xD108493 2009-6-5
