DMTDHF: A full dimensional time-dependent Hartree-Fock program for diatomic molecules in strong laser fields

We present the DMTDHF package, which investigates the non-perturbative electronic dynamics of diatomic molecules subjected to strong external laser fields by the fully propagated time-dependent Hartree–Fock theory. The package uses the prolate spheroidal coordinates, together with the finiteelement method and discrete-variable representation, while short iterative Lanczos algorithm is employed for the time propagation. This package can be applied to diatomic molecules with many electrons, and is implemented to allow easy extensions for additional capabilities.