Monday, March 24, 2014

March Meeting: My questions

Dear Diary,

I was asked a question about the applicability of what I presented for all sorts of ways to mix the wavefunction.  Thing is, Lucas proved that the Kohn-Sham algorithm can definitely converge.  That proof used a simplified mixing scheme that not everyone uses.  So, the first question was curious.

Apparently, I didn't answer well enough because the second question asked about the same thing.  Maybe I wasn't loud enough.  I was thinking in my head that if you altered the density somehow, you would always find an optimal amount of change of the density from your guess.

But maybe I'm mistaken.  I'll hopefully get to hear what the other group members thought.

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