Acceleration of the transcorrelated method for solids

ORAL

Abstract

To calculate the electronic structures of solids including electron correlation effects, we have developed the transcorrelated (TC) method. In the TC method, a many-body wave function is represented by a correlated wave function $F \Phi$, where $\Phi$ is a single Slater determinant and $F$ is a Jastrow function, $F=\exp[-\sum_{i

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Authors

  • Keitaro Sodeyama

    • Post doctoral researcher
    • University of Tokyo

  • Masayuki Ochi

    • University of Tokyo

  • Rei Sakuma

    • Chiba University

  • Shinji Tsuneyuki

    • University of Tokyo