CCSD with Equations and Code

This repository implements the Coupled Cluster Singles and Doubles (CCSD) method. Symbolic derivations are done using SymPy, but the final code is manually translated into Python. The main documentation is provided in Chinese.

Contents

• CCSD.tex and CCSD.pdf: LaTeX documentation in Chinese, introducing CC methods and mathematical results.
• SymPyCC.ipynb: Uses SymPy to derive CCSD energy and amplitude equations.
• CCSD.ipynb: A Python implementation of the CCSD solver.