Time-dependent optimized coupled-cluster method for multielectron dynamics III: A second-order many-body perturbation approximation
Abstract
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 [TD-OMP2] 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 (HHG) of Ar. The calculation results are benchmarked against ab initio time-dependent complete-active-space self-consistent field (TD-CASSCF), time-dependent optimized coupled-cluster double (TD-OCCD), and time-dependent Hartree-Fock (TDHF) methods, as well as a single active electron (SAE) model to explore the role of electron correlation.
Cite
@article{arxiv.2003.11229,
title = {Time-dependent optimized coupled-cluster method for multielectron dynamics III: A second-order many-body perturbation approximation},
author = {Himadri Pathak and Takeshi Sato and Kenichi L. Ishikawa},
journal= {arXiv preprint arXiv:2003.11229},
year = {2020}
}