Work

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

Year: 2020

Type: article

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 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.

Source: The Journal of Chemical Physics

DOI: 10.1063/5.0008789

Authors: Himadri Pathak, Takeshi Sato, Kenichi L. Ishikawa

Institution: The University of Tokyo

Language: English

Topic: Laser-Matter Interactions and Applications

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $3,500