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