activity
20242026
most citedTime-dependent Hole States in Multiconfigurational Time-Dependent Hartree-Fock Approaches: A Time-Domain Generalization of Extended Koopmans' Theorem

1 citations · 1 across the 5 of their papers we have counts for

collaborators

6 papers

quant-ph2026

Sequential optimization for orbital-optimized variational quantum eigensolvers

Hiromichi Hayashi, Takeshi Sato

Orbital optimization within the variational quantum eigensolver (VQE) framework is useful for improving active-space quality and accurately capturing electron correlation with shal…

physics.atom-ph2025

Reduced density matrix description of high-harmonic generation in multi-electron atoms: exploring sub-cycle correlation effects

Katharina Buczolich, Takeshi Sato, Kenichi L. Ishikawa +3

High-harmonic generation (HHG) is one of the fundamental processes at the heart of attosecond physics. Traditionally viewed as an effective single-particle effect, recent advances…

physics.atom-ph2025

Coherent Control of Ion-Photoelectron Dynamics through Rabi Oscillations: An ab initio study

Bo-Ren Shen, Yi-Jia Mao, Zhao-Han Zhang +4

We present first-principles numerical simulations of photoionization in neon induced by bichromatic extreme ultraviolet pulses with frequencies and , specially chosen to ma…

physics.atom-ph2025

Time-dependent Hole States in Multiconfigurational Time-Dependent Hartree-Fock Approaches: Applications in Photoionization of Water Molecule

Zhao-Han Zhang, Yang Li, Himadri Pathak +3

By simulating the real-time multielectron wavefunction with the multi-configurational time-dependent Hartree-Fock (MCTDHF) approach, we conduct an \textit{ab initio} study of the s…

physics.atom-ph2025★ 1 cited

Time-dependent Hole States in Multiconfigurational Time-Dependent Hartree-Fock Approaches: A Time-Domain Generalization of Extended Koopmans' Theorem

Zhao-Han Zhang, Yang Li, Himadri Pathak +3

We introduce a framework for resolving electron-hole dynamics within wavefunction-based multiconfigurational time-dependent Hartree-Fock (MCTDHF) theory. Central to this framework…

physics.chem-ph2024

Time-dependent orbital-optimized coupled-cluster methods families for fermion-mixtures dynamics

Haifeng Lang, Takeshi Sato

Five time-dependent orbital optimized coupled-cluster (TD-ooCC) methods, of which four can converge to the complete active space self-consistent-field method, are presented for fer…