Iterative diagonalization of the non-Hermitian transcorrelated Hamiltonian using a plane-wave basis set: Application to $sp$-electron systems with deep core states

Masayuki Ochi, Yoshiyuki Yamamoto, Ryotaro Arita +1

We develop an iterative diagonalization scheme in solving a one-body self-consistent-field equation in the transcorrelated (TC) method using a plane-wave basis set. Non-Hermiticity…