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Published 20 hours ago • verified publisher icon pyscf

[FEATURE REQUEST] Analytical Hessian of NLC functional for UKS

Open wxj6000 opened this issue 1 month ago • 0 comments

This is a feature request from one of friends. Currently, the analytical Hessian of NLC functional is supported for RKS only.

wxj6000 avatar Oct 30 '25 18:10 wxj6000