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 …

Studying molecular quantum dynamics with the multiconfiguration time‐dependent Hartree method

HD Meyer - Wiley Interdisciplinary Reviews: Computational …, 2012 - Wiley Online Library
This review covers the multiconfiguration time‐dependent Hartree (MCTDH) method, which
is a powerful and general algorithm for solving the time‐dependent Schrödinger equation …

Ultrafast correlation-driven electron dynamics

AI Kuleff, LS Cederbaum - … of Physics B: Atomic, Molecular and …, 2014 - iopscience.iop.org
Exposing molecules to ultrashort laser pulses creates electronic wave packets, and
therefore, triggers pure electron dynamics in the excited or ionized system. In the case of …

[SÁCH][B] Nonequilibrium Green's Functions Approach to Inhomogeneous Systems

K Balzer, M Bonitz - 2012 - books.google.com
Page 1 Lecture Notes in Physics 867 Karsten Balzer Michael Bonitz Nonequilibrium Green's
Functions Approach to Inhomogeneous Systems Springer Page 2 Lecture Notes in Physics …

A review on non‐relativistic, fully numerical electronic structure calculations on atoms and diatomic molecules

S Lehtola - International Journal of Quantum Chemistry, 2019 - Wiley Online Library
The need for accurate calculations on atoms and diatomic molecules is motivated by the
opportunities and challenges of such studies. The most commonly used approach for all …

Coherent dynamics in cavity femtochemistry: Application of the multi-configuration time-dependent Hartree method

O Vendrell - Chemical Physics, 2018 - Elsevier
The photochemistry of a molecular ensemble coupled to a resonance cavity and triggered
by a femtosecond laser pulse is investigated from a real-time, quantum dynamics …

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 …

Time-dependent multiconfiguration self-consistent-field method based on the occupation-restricted multiple-active-space model for multielectron dynamics in intense …

T Sato, KL Ishikawa - Physical Review A, 2015 - APS
The time-dependent multiconfiguration self-consistent-field method based on the occupation-
restricted multiple-active-space model is proposed (TD-ORMAS) for multielectron dynamics …

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 …