[Wien] excited state of a system

shamik chakrabarti shamikphy at gmail.com
Thu May 6 12:52:52 CEST 2010


Dear Stefaan Sir,

                         Thank you for your reply. But is your reply
indicating that.......

the excited states *may be* those states having higher energy....but it is *not
sure* that whether the states having higher energy will be the excited
states of the system??......Please assure me that this is the meaning of
your reply...........but if this is the meaning then another question is
that may it be happened that some converged solutions of the system actually
never be found in reality??...if this is true then the question is
why?..........Please forgive me to ask so many questions at a time.

with best regards,

Shamik Chakrabarti

On Thu, May 6, 2010 at 3:57 PM, Stefaan Cottenier <
Stefaan.Cottenier at ugent.be> wrote:

>
>                             I have a basic question regarding DFT. Say for
>> some system we calculate antiferromagnetic, ferromagnetic and non spin
>> polarized state and by comparing energy we find that the antiferromagnetic
>> state is the ground state. Now as ferromagnetic and non spin polarized
>> states are also two converged solutions of the system can we consider them
>> as some excited states which can be found at higher temperature (other than
>>  0K).....??
>>
>
> Yes. But the important word is: "which CAN be found". This is not "WILL be
> found".
>
> Stefaan
>
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-- 
Shamik Chakrabarti
Research Scholar
Dept. of Physics & Meteorology
Material Processing & Solid State Ionics Lab
IIT Kharagpur
Kharagpur 721302
INDIA
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