Towards the solution of the many-electron problem in real materials: equation of state of the hydrogen chain with state-of-the-art many-body methods

  title={Towards the solution of the many-electron problem in real materials: equation of state of the hydrogen chain with state-of-the-art many-body methods},
  author={Mario Motta and David M. Ceperley and Garnet Kin-Lic Chan and John A. Gomez and Emanuel Gull and Sheng Guo and Carlos A. Jim{\'e}nez-Hoyos and Tran Nguyen Lan and Jia Li and Fengjie Ma and Andrew J. Millis and Nikolay V. Prokof’ev and Ushnish Ray and Gustavo E. Scuseria and Sandro Sorella and Edwin Miles Stoudenmire and Qiming Sun and Igor S. Tupitsyn and Steven R. White and Dominika Zgid and Shiwei Zhang},
  journal={Bulletin of the American Physical Society},
We present numerical results for the equation of state of an infinite chain of hydrogen atoms. A variety of modern many-body methods are employed, with exhaustive cross-checks and validation. Approaches for reaching the continuous space limit and the thermodynamic limit are investigated, proposed, and tested. The detailed comparisons provide a benchmark for assessing the current state of the art in many-body computation, and for the development of new methods. The ground-state energy per atom… 

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