Time-dependent optimized coupled-cluster method for multielectron dynamics IV: Approximate consideration of the triple excitation amplitudes
Himadri Pathak,
Takeshi Sato,
Kenichi L. Ishikawa
Abstract:We present a cost-effective treatment of the triple excitation amplitudes in the time-dependent optimized coupled-cluster (TD-OCC) framework called TD-OCCDT(4) for studying intense laser-driven multielectron dynamics. It considers triple excitation amplitudes correct up to fourth-order in many-body perturbation theory and achieves a computational scaling of O(N 7 ), with N being the number of active orbital functions. This method is applied to the electron dynamics in Ne and Ar atoms exposed to an intense near… Show more
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