Convex DFT restores conical intersection topology by enforcing convexity of the variational problem in an appropriate subspace, producing smooth intersection seams that match multireference reference calculations.
Restoring the Conical Intersection Topology using Convex Density Functional Theory
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Restoring the Conical Intersection Topology using Convex Density Functional Theory
Convex DFT restores conical intersection topology by enforcing convexity of the variational problem in an appropriate subspace, producing smooth intersection seams that match multireference reference calculations.