[HTML][HTML] Charge migration and charge transfer in molecular systems

HJ Wörner, CA Arrell, N Banerji, A Cannizzo… - Structural …, 2017 - pubs.aip.org
The transfer of charge at the molecular level plays a fundamental role in many areas of
chemistry, physics, biology and materials science. Today, more than 60 years after the …

Perspectives of attosecond spectroscopy for the understanding of fundamental electron correlations

PM Kraus, HJ Wörner - Angewandte Chemie International …, 2018 - Wiley Online Library
The description of the electronic structure of molecules in terms of molecular orbitals is a
highly successful concept in chemistry. However, it commonly fails if the electrons in a …

Measurement and laser control of attosecond charge migration in ionized iodoacetylene

PM Kraus, B Mignolet, D Baykusheva, A Rupenyan… - Science, 2015 - science.org
The ultrafast motion of electrons and holes after light-matter interaction is fundamental to a
broad range of chemical and biophysical processes. We advanced high-harmonic …

Chiral discrimination through bielliptical high-harmonic spectroscopy

D Baykusheva, HJ Wörner - Physical Review X, 2018 - APS
Molecular chirality plays an essential role in most biochemical processes. The observation
and quantification of chirality-sensitive signals, however, remains extremely challenging …

Implementation of the time-dependent complete-active-space self-consistent-field method for diatomic molecules

Y Li, F He, T Sato, KL Ishikawa - The Journal of Physical Chemistry …, 2024 - ACS Publications
We present a computational approach that implements the time-dependent complete-active-
space self-consistent-field method, as introduced in [Phys. Rev. A 88, 023402 (2013)]. Our …

Two-Center Interference in the Photoionization Delays of

S Heck, M Han, D Jelovina, JB Ji, C Perry, X Gong… - Physical review …, 2022 - APS
We present the experimental observation of two-center interference in the ionization time
delays of Kr 2. Using attosecond electron-ion-coincidence spectroscopy, we simultaneously …

Two-pulse field-free orientation reveals anisotropy of molecular shape resonance

PM Kraus, D Baykusheva, HJ Wörner - Physical review letters, 2014 - APS
We report the observation of macroscopic field-free orientation, ie, more than 73% of CO
molecules pointing in the same direction. This is achieved through an all-optical scheme …

Observation of laser-induced electronic structure in oriented polyatomic molecules

PM Kraus, OI Tolstikhin, D Baykusheva… - Nature …, 2015 - nature.com
All attosecond time-resolved measurements have so far relied on the use of intense near-
infrared laser pulses. In particular, attosecond streaking, laser-induced electron diffraction …

Background-free measurement of ring currents by symmetry-breaking high-harmonic spectroscopy

O Neufeld, O Cohen - Physical Review Letters, 2019 - APS
We propose and explore an all-optical technique for ultrafast characterization of electronic
ring currents in atoms and molecules, based on high-harmonic generation (HHG). In our …

Multidimensional high harmonic spectroscopy of polyatomic molecules: detecting sub-cycle laser-driven hole dynamics upon ionization in strong mid-IR laser fields

BD Bruner, Z Mašín, M Negro, F Morales… - Faraday …, 2016 - pubs.rsc.org
High harmonic generation (HHG) spectroscopy has opened up a new frontier in ultrafast
science, where electronic dynamics can be measured on an attosecond time scale. The …