The Self-Trapping Line of the Holstein Molecular Crystal Model in One Dimension

Physics – Condensed Matter

Scientific paper

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Scientific paper

10.1103/PhysRevB.60.4618

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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