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.
D.et al.et 2.0: An efficient open-source molecular electronic structure program.J
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
physics.chem-ph 1years
2026 1verdicts
UNVERDICTED 1representative citing papers
citing papers explorer
-
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.