WanTiBEXOS: a Wannier based tight binding code for electronic band structure, excitonic and optoelectronic properties of solids

DOI10.1016/j.cpc.2022.108636OpenAlexW4313443158MaRDI QIDQ2692416

Fanyao Qu, Alexandre C. Dias, Julian F. R. V. Silveira

Publication date: 21 March 2023

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

Full work available at URL: https://doi.org/10.1016/j.cpc.2022.108636

zbMATH Keywords

Wannier functionsexcitonstight-bindingelectronic and optical properties

Mathematics Subject Classification ID

NLS equations (nonlinear Schrödinger equations) (35Q55) PDEs in connection with quantum mechanics (35Q40) Statistical mechanics of semiconductors (82D37) Parallel numerical computation (65Y05) Atomic physics (81V45) Software, source code, etc. for problems pertaining to quantum theory (81-04) Lasers, masers, optical bistability, nonlinear optics (78A60) Bethe-Salpeter and other integral equations arising in quantum theory (81Q40) Lattice dynamics; integrable lattice equations (37K60) Statistical mechanics of nanostructures and nanoparticles (82D80) Computational density functional analysis in statistical mechanics (82M36)

Related Items (2)

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

Uses Software

• Wannier90
• VASP

Cites Work

• Unnamed Item
• \textsc{BoltzWann}: a code for the evaluation of thermoelectric and electronic transport properties with a maximally-localized Wannier functions basis
• Wannier90: A tool for obtaining maximally-localised Wannier functions
• Berry phase effects on electronic properties
• Many-body Approaches at Different Scales
• A Relativistic Equation for Bound-State Problems
• Simplified LCAO Method for the Periodic Potential Problem

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