Excited-State Density-Functional Theory Revisited: on the Uniqueness, Existence, and Construction of the Density-to-Potential Mapping
Prasanjit Samal,
Subrata Jana,
Sourabh S. Chauhan
Abstract:The generalized constrained search formalism is used to address the issues concerning density-topotential mapping for excited states in time-independent density-functional theory. The multiplicity of potentials for any given density and the uniqueness in density-to-potential mapping are explained within the framework of unified constrained search formalism for excited-states due to Görling, Levy-Nagy, Samal-Harbola and Ayers-Levy. The extensions of Samal-Harbola criteria and it's link to the generalized constr… Show more
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