Total energy calculations using the transcorrelated method: wavefunction approach for solids

POSTER

Abstract

To calculate the electronic structures of solids including electron correlation effects, we have developed the transcorrelated (TC) method which was first proposed by Boys and Handy. In this method, the 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

Authors

  • Keitaro Sodeyama

    • Department of Physics, University of Tokyo
  • Rei Sakuma

    • Department of Physics, University of Tokyo
  • Shinji Tsuneyuki

    • Department of Physics, University of Tokyo