Finite-temperature coupled cluster: Efficient implementation and application to prototypical systems.

@article{White2020FinitetemperatureCC,
  title={Finite-temperature coupled cluster: Efficient implementation and application to prototypical systems.},
  author={Alec F. White and Garnet Kin-Lic Chan},
  journal={The Journal of chemical physics},
  year={2020},
  volume={152 22},
  pages={
          224104
        }
}
We discuss the theory and implementation of the finite temperature coupled cluster singles and doubles (FT-CCSD) method including the equations necessary for an efficient implementation of response properties. Numerical aspects of the method including the truncation of the orbital space and integration of the amplitude equations are tested on some simple systems, and we provide some guidelines for applying the method in practice. The method is then applied to the 1D Hubbard model, the uniform… 
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