[Wien] (no subject)

[Nazia Erum]

Thanks Mr. Rahnama but the question is still there that why zero kelvin DFT based calculations are compared with experimentally calculated values at > 0 K temp"

 thanks

 



Date: Tue, 9 Jun 2015 12:12:06 +0000
From: rahnama at hsu.ac.ir
To: wien at zeus.theochem.tuwien.ac.at
Subject: Re: [Wien] (no subject)



Dear Sikander,
DFT based calculations are the ground state calculations. In this state, Energy of system without any perturbation is minimum at Zero K.
Regards,
Rahnama




From: "sikandar azam" <sikandar_hu at yahoo.com>
To: wien at zeus.theochem.tuwien.ac.at
Sent: Tuesday, June 9, 2015 2:32:33 PM
Subject: [Wien] (no subject)





Dear All
Please answer me this question
explain why zero kelvin DFT based calculations are compared with experimentally calculated values at >0 K temp"

with regards
sikander
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