Time-dependent optimized coupled-cluster method for multielectron dynamics. III. A second-order many-body perturbation approximation

摘要

We report successful implementation of the time-dependent second-order many-body perturbation theory using optimized orthonormal orbital functions called time-dependent optimized second-order many-body perturbation theory to reach out to relatively larger chemical systems for the study of intense-laser-driven multielectron dynamics. We apply this method to strong-field ionization and high-order harmonic generation of Ar. The calculation results are benchmarked against ab initio time-dependent complete-active-space self-consistent field, time-dependent optimized coupled-cluster double, and time-dependent Hartree-Fock methods, as well as a single active electron model to explore the role of electron correlation.