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ccsdt

Here are 2 public repositories matching this topic...

pulkin / cc-diagrams

Automatic diagram and code generation of quantum chemistry coupled-cluster equations

physics quantum-chemistry diagrams electronic-structure ccsd pyscf coupled-cluster cc-diagrams ccsdt ccsdtq

Updated May 16, 2018
Python

alejandrogallo / sisi4s

Massively parallel electronic structure code for experimentation

libint vasp nwchem quantum-chemistry ctf tensor-algebra mp2 hartree-fock einstein-notation turbomole rpa ccsd coupled-cluster ccsdt eomcc

Updated May 15, 2024
C++

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