Multi-configuration time dependent Hartree Fock method in three different representations

Abstract

As a powerful tool to deal with multi-electron dynamics in strong laser field, multi-configuration time-dependent Hartree Fock (MCTDHF) method has attracted great attention. In this paper, the strategy of the implement of the MCTDHF theory is illustrated in the paper in detail. We develop three types of Fortran source soft packages based on three different bases to study correlated dynamics of atoms and molecules in strong laser field. The calculated soft-packages based on the theory are introduced in detail. The calculations are performed by using the soft-package. The prospect of the MCTDHF approach to simulating the multi-electron dynamics in strong laser field are also presented.