The C60 Molecule with the Step-Potential Model

Conference paper
Part of the Springer Series in Solid-State Sciences book series (SSSOL, volume 117)

Abstract

The geometry of the C60-molecule, determined by electron-phonon coupling, is obtained by finding the selfconsistency between bond length and μ-electron density in the middle of the bond. The μ-electrons are considered to move along a one-dimensional step-potential forming a network of bond potentials. The one-particle Schrödinger equation is solved numerically fulfilling branching conditions at each site and the μ-electron density distribution is evaluated. The bond length pattern and the electronic spectrum of the ground state of the C60-molecule is investigated as well as the charge localization in C60 n−

Keywords

Benzene Hydrocarbon Fullerene Butadiene 

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Copyright information

© Springer-Verlag Berlin Heidelberg 1993

Authors and Affiliations

  • C. Kuhn
    • 1
  1. 1.Laboratoire Léon BrillouinGif-Sur-Yvette CédexFrance

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