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SCF Gradients for DF JK types #61

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dgasmith opened this issue Jun 14, 2018 · 0 comments
Open

SCF Gradients for DF JK types #61

dgasmith opened this issue Jun 14, 2018 · 0 comments

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@dgasmith
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DF-JK wK was recently fixed in Psi4 through this PR and we now have all of the technology to make a nice tutorial of this. This is a nice example of the chain rule in quantum chemistry and how these things are approached.

Gist can be found here. All it needs is a coat of paint and additional documentation. Any volunteers?
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@dgasmith