Topic: Do you need to really understand the theory when applying DFT methods? (Read 3038 times)

SheffieldWednesday4ever · « **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?

408 · « **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.

Topic: Do you need to really understand the theory when applying DFT methods? (Read 3038 times)

SheffieldWednesday4ever

Do you need to really understand the theory when applying DFT methods?

408

Re: Do you need to really understand the theory when applying DFT methods?

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