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Paper detail

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

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.

preprint2020arXivOpen access
Himadri PathakTakeshi SatoKenichi L. Ishikawa
physics.atom-phphysics.chem-ph
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Himadri PathakTakeshi SatoKenichi L. Ishikawa

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