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 …

Theories of photoelectron correlation in laser-driven multiple atomic ionization

W Becker, XJ Liu, PJ Ho, JH Eberly - Reviews of Modern Physics, 2012 - APS
Experimental advances with laser intensities above 1 TW/cm 2, with pulse durations
between roughly 50 and 5 fs, have led to the discovery of new atomic effects that include …

Synthesized light transients

A Wirth, MT Hassan, I Grguraš, J Gagnon, A Moulet… - Science, 2011 - science.org
Manipulation of electron dynamics calls for electromagnetic forces that can be confined to
and controlled over sub-femtosecond time intervals. Tailored transients of light fields can …

Real-time time-dependent electronic structure theory

X Li, N Govind, C Isborn, AE DePrince III… - Chemical …, 2020 - ACS Publications
Real-time electronic structure methods provide an unprecedented view of electron dynamics
and ultrafast spectroscopy on the atto-and femtosecond time scale with vast potential to yield …

Real‐time time‐dependent electronic structure theory

JJ Goings, PJ Lestrange, X Li - Wiley Interdisciplinary Reviews …, 2018 - Wiley Online Library
Real‐time time‐dependent electronic structure theory is one of the most promising methods
for investigating time‐dependent molecular responses and electronic dynamics. Since its …

Modeling fast electron dynamics with real-time time-dependent density functional theory: Application to small molecules and chromophores

K Lopata, N Govind - Journal of chemical theory and computation, 2011 - ACS Publications
The response of matter to external fields forms the basis for a vast wealth of fundamental
physical processes ranging from light harvesting to nanoscale electron transport. Accurately …

Time-dependent complete-active-space self-consistent-field method for multielectron dynamics in intense laser fields

T Sato, KL Ishikawa - Physical Review A—Atomic, Molecular, and Optical …, 2013 - APS
The time-dependent complete-active-space self-consistent-field (TD-CASSCF) method for
the description of multielectron dynamics in intense laser fields is presented, and a …

Large-scale quantum dynamics with matrix product states

A Baiardi, M Reiher - Journal of chemical theory and computation, 2019 - ACS Publications
Dynamical electronic-and vibrational-structure theories have received a growing interest in
the past few years due to their ability to simulate spectra recorded with ultrafast experimental …

Time-dependent restricted-active-space self-consistent-field theory for laser-driven many-electron dynamics

H Miyagi, LB Madsen - Physical Review A—Atomic, Molecular, and Optical …, 2013 - APS
We present the time-dependent restricted-active-space self-consistent-field (TD-RASSCF)
theory as a framework for the time-dependent many-electron problem. The theory …