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