Efficient computation of optical excitations in two-dimensional materials with the Xatu code

DOI10.1016/j.cpc.2023.109001arXiv2307.01572OpenAlexW4388487085MaRDI QIDQ6178494

Juan José Palacios, Juan José Esteve-Paredes, M. A. García-Blázquez, Alejandro José Uría-Álvarez

Publication date: 16 January 2024

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/2307.01572

zbMATH Keywords

localized orbitalsBethe-Salpeter equationmany-body physicsopticsexcitontight-binding

Mathematics Subject Classification ID

Quantum computation (81P68) Other elementary particle theory in quantum theory (81V25) Estimates of eigenvalues in context of PDEs (35P15) Spectrum, resolvent (47A10) Quantum optics (81V80) Statistical mechanics of semiconductors (82D37) Atomic physics (81V45) Many-body theory; quantum Hall effect (81V70) Orbital mechanics (70M20) Localization and associative Noetherian rings (16P50) Nonselfadjoint operator theory in quantum theory including creation and destruction operators (81Q12) Computational density functional analysis in statistical mechanics (82M36)

Cites Work

• The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices
• WanTiBEXOS: a Wannier based tight binding code for electronic band structure, excitonic and optoelectronic properties of solids
• Quantum Theory of the Dielectric Constant in Real Solids
• Dielectric Constant with Local Field Effects Included