The Self-Trapping Line of the Holstein Molecular Crystal Model in One Dimension
A. H. Romero, David W. Brown, Katja Lindenberg
Abstract
The ground state of the Holstein molecular crystal model in one dimension is studied using the Global-Local variational method, analyzing in particular the total energy, kinetic energy, phonon energy, and interaction energy over a broad region of the polaron parameter space. Through the application of objective criteria, a unique curve is identified that simply, accurately, and robustly locates the self-trapping transition separating small polaron and large polaron behavior.
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