ThreeBodyTB.jl code for fast and accurate tight binding band structure and total energy calculations across the periodic table.
收藏NIST Chemistry WebBook2025-11-04 更新2026-03-14 收录
下载链接：
https://github.com/usnistgov/ThreeBodyTB.jl
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资源简介：
This includes the code for the ThreeBodyTB.jl project as well as a set of Quantum Espresso density functional theory calculations used to fit the tight binding coefficients.
