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Topic: Do you need to really understand the theory when applying DFT methods?  (Read 3037 times)

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Offline SheffieldWednesday4ever

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Do you need to really understand the theory when applying DFT methods?
« on: September 24, 2011, 06:22:35 PM »
Say, for the applications of certain software to find out properties of certain compounds. Is it important to really understand the kohn-sham equations and formalisms etc.? Or, do you only need a basic idea unless you're developing the functionals?
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Offline 408

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Re: Do you need to really understand the theory when applying DFT methods?
« Reply #1 on: September 24, 2011, 07:47:24 PM »
purists will tell you it is important.
I treat quantum software like a black box.  input data, output results, and just be happy it came out.
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