Attosecond electron dynamics in molecules

M Nisoli, P Decleva, F Calegari, A Palacios… - Chemical …, 2017 - ACS Publications
Advances in attosecond science have led to a wealth of important discoveries in atomic,
molecular, and solid-state physics and are progressively directing their footsteps toward …

Colloquium: Multiconfigurational time-dependent Hartree approaches for indistinguishable particles

AUJ Lode, C Lévêque, LB Madsen, AI Streltsov… - Reviews of Modern …, 2020 - APS
In this Colloquium, the wave-function-based multiconfigurational time-dependent Hartree
approaches to the dynamics of indistinguishable particles (MCTDH-F for fermions and …

[HTML][HTML] Communication: Time-dependent optimized coupled-cluster method for multielectron dynamics

T Sato, H Pathak, Y Orimo, KL Ishikawa - The Journal of chemical …, 2018 - pubs.aip.org
Time-dependent coupled-cluster method with time-varying orbital functions, called time-
dependent optimized coupled-cluster (TD-OCC) method, is formulated for multielectron …

Charge migration induced by attosecond pulses in bio-relevant molecules

F Calegari, A Trabattoni, A Palacios… - Journal of Physics B …, 2016 - iopscience.iop.org
After sudden ionization of a large molecule, the positive charge can migrate throughout the
system on a sub-femtosecond time scale, purely guided by electronic coherences. The …

Time-dependent complete-active-space self-consistent-field method for atoms: Application to high-order harmonic generation

T Sato, KL Ishikawa, I Březinová, F Lackner, S Nagele… - Physical Review A, 2016 - APS
We present a numerical implementation of the time-dependent complete-active-space self-
consistent-field (TD-CASSCF) method [Phys. Rev. A 88, 023402 (2013) PLRAAN 1050-2947 …

A Review on Ab Initio Approaches for Multielectron Dynamics

KL Ishikawa, T Sato - IEEE Journal of Selected Topics in …, 2015 - ieeexplore.ieee.org
In parallel with the evolution of femtosecond and attosecond laser as well as free-electron
laser technology, a variety of theoretical methods have been developed to describe the …

Time-dependent ab initio approaches for high-harmonic generation spectroscopy

E Coccia, E Luppi - Journal of Physics: Condensed Matter, 2021 - iopscience.iop.org
High-harmonic generation (HHG) is a nonlinear physical process used for the production of
ultrashort pulses in XUV region, which are then used for investigating ultrafast phenomena …

Atomic, molecular and optical physics applications of longitudinally coherent and narrow bandwidth Free-Electron Lasers

C Callegari, AN Grum-Grzhimailo, KL Ishikawa… - Physics Reports, 2021 - Elsevier
Abstract Short wavelength Free-Electron Lasers (FELs) are among the newest light sources
available to scientists to probe a wide range of phenomena, with chemical, physical and …

Theoretical methods for attosecond electron and nuclear dynamics: applications to the H2 molecule

A Palacios, JL Sanz-Vicario… - Journal of Physics B …, 2015 - iopscience.iop.org
Attosecond science, born at the beginning of this century with the generation of the first
bursts of light with durations shorter than a femtosecond, has opened the way to look at …

Time-dependent optimized coupled-cluster method for multielectron dynamics. II. A coupled electron-pair approximation

H Pathak, T Sato, KL Ishikawa - The Journal of chemical physics, 2020 - pubs.aip.org
We report the implementation of a cost-effective approximation method within the framework
of the time-dependent optimized coupled-cluster (TD-OCC) method [T. Sato et al., J. Chem …