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Updated: Jan 3, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
Published on: May 27, 2020
Basis-independent spectral methods for non-linear optical response in arbitrary tight-binding models
S M João1, J M Viana Parente Lopes1
1Centro de Física das Universidades do Minho e Porto and Departamento de Física e Astronomia, Faculdade de Ciências, Universidade do Porto, 4169-007 Porto, Portugal.
Abstract:
In this paper, we developed a basis-independent perturbative method for calculating the non-linear optical response of arbitrary non-interacting tight-binding models. Our method is based on the non-equilibrium Keldysh formalism and allows an efficient numerical implementation within the framework of the kernel polynomial method for systems which are not required to be translation-invariant. Some proof-of-concept results of the second-order optical conductivity are presented for the special case of gapped graphene with vacancies and an on-site Anderson disordered potential.
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