Transcorrelated method applied to covalent and ionic solids: total energy and band structure calculation

ORAL

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 the TC 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

  • Shinji Tsuneyuki

    Department of Physics, University of Tokyo

  • Rei Sakuma

    JST-CREST, AIST