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Updated: Oct 18, 2025

Synthesis of Cyclic Polymers and Characterization of Their Diffusive Motion in the Melt State at the Single Molecule Level
Published on: September 26, 2016
The localization spread and polarizability of rings and periodic chains
Celestino Angeli1, Gian Luigi Bendazzoli2, Stefano Evangelisti3
1Dipartimento di Scienze Chimiche, Farmaceutiche ed Agrarie, Università di Ferrara, via Borsari 46, 44121 Ferrara, Italy.
Abstract:
The localization spread gives a criterion to decide between metallic and insulating behavior of a material. It is defined as the second moment cumulant of the many-body position operator, divided by the number of electrons. Different operators are used for systems treated with open or periodic boundary conditions. In particular, in the case of periodic systems, we use the complex position definition, which was already used in similar contexts for the treatment of both classical and quantum situations. In this study, we show that the localization spread evaluated on a finite ring system of radius R with open boundary conditions leads, in the large R limit, to the same formula derived by Resta and co-workers [C. Sgiarovello, M. Peressi, and R. Resta, Phys. Rev. B 64, 115202 (2001)] for 1D systems with periodic Born-von Kármán boundary conditions. A second formula, alternative to Resta's, is also given based on the sum-over-state formalism, allowing for an interesting generalization to polarizability and other similar quantities.
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