The Levy constrained search formalism is a useful way to reason about density functional theory. It finds the minimum energy using two nested searches. The inner search seeks the minimum energy wavefunction for a particular density. The outer search seeks the density with the minimum energy.
This could be directly implemented using VMC. The main ingredient is energy minimization subject to a density constraint. Has anyone done this?
It wouldn't be very efficient compared to optimizing the VMC energy directly, but it would make an interesting connection between the methods.
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Would like to email you about this blog, but no contact info to be found mwill@geopense.net Thanks
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