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Recursion and Path-Integral Approaches to the Analytic Study of the Electronic Properties of $C_{60}$

Yeong-Lieh Lin·Franco Nori
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Abstract

The recursion and path-integral methods are applied to analytically study the electronic structure of a neutral $C_{60}$ molecule. We employ a tight-binding Hamiltonian which considers both the $s$ and $p$ valence electrons of carbon. From the recursion method, we obtain closed-form {\it analytic} expressions for the $π$ and $σ$ eigenvalues and eigenfunctions, including the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) states, and the Green's functions. We also present the local densities of states around several ring clusters, which can be probed experimentally by using, for instance, a scanning tunneling microscope. {}From a path-integral method, identical results for the energy spectrum are also derived. In addition, the local density of states on one carbon atom is obtained; from this we can derive the degree of degeneracy of the energy levels.

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Yeong-Lieh Lin, Franco Nori. 1993-12-09. Recursion and Path-Integral Approaches to the Analytic Study of the Electronic Properties of $C_{60}$. https://doi.org/10.1103/physrevb.53.1641

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