slater-koster 开源项目推荐（9 个）

deepmodeling /DeePTB

DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy.

santoshkumarradha /pysktb

用于求解斯莱特·科斯特紧约束拓扑哈密顿量的科学Python软件包

Infant83 /TBFIT

Tight-binding parameter fitting package (TBFIT) for Slater-Koster method

dftbplus /skprogs

Basic programs for generating Slater-Koster files for the DFTB-method

alejandrojuria /tightbinder

General purpose Slater-Koster tight-binding library for electronic structure calculations

QG-phy /DeePTB

DeePTB: A deep learning package for tight-binding approach with ab initio accuracy.

jesus-garcia-izquierdo /tight-binding-slater-koster-group-theory

Tight-binding, Slater–Koster and group theory in Python: band structures of graphene, h-BN, C/Si/Ge, cubic metals and perovskites, with symmetry labels computed from characters, 24 tests, a Colab notebook and lecture notes (ES/EN).

shahnaz1369 /band-structure-MoS2-2D-

Python implementation of the electronic band structure of monolayer MoS₂ using the Slater–Koster tight-binding model.

romz-pl /Slater-John-Clarke-bibliography

Comprehensive bibliography of John Clarke Slater (1900–1976), the American theoretical physicist behind Slater determinants, Slater-type orbitals, and the X-alpha method. Lists his books and journal papers from 1924 to 1976, with a short biography.