[Pw_forum] temperature dependent density functional theory

[Hongsheng Zhao]

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