• Corpus ID: 207869770

A Parallel Computing Method for the Coupled-Cluster Singles and Doubles.

@article{Yamashita2019APC,
  title={A Parallel Computing Method for the Coupled-Cluster Singles and Doubles.},
  author={Takumi Yamashita and Taichi Kosugi and Yu-Ichiro Matsushita and Tetsuya Sakurai},
  journal={arXiv: Strongly Correlated Electrons},
  year={2019}
}
In this paper, we present a parallel computing method for the coupled-cluster singles and doubles (CCSD) in periodic systems. The CCSD in periodic systems solves simultaneous equations for single-excitation and double-excitation amplitudes. In the simultaneous equations for double-excitation amplitudes, each equations are characterized by four spin orbitals and three independent momentums of electrons. One of key ideas of our method is to use process numbers in parallel computing to identify… 

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