Reply to Comment on "Self-Consistent-Field Method for Correlated Many-Electron Systems with an Entropic Cumulant Energy", arXiv2202.05532v1
Abstract
Recently we proposed an information entropy based method for electronic structure calculations within the density-matrix functional theory(DMFT) (Phys. Rev. Lett. 128, 013001), dubbed as i-DMFT. Comments have been raised regarding the accuracy of the one-particle density-matrix compared to that from the wave function, and the universality of the functional. We address these questions and the problematic case of HeH+.
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