Progress and prospects in nonlinear extreme-ultraviolet and X-ray optics and spectroscopy

M Chergui, M Beye, S Mukamel, C Svetina… - Nature Reviews …, 2023 - nature.com
Free-electron lasers and high-harmonic-generation table-top systems are new sources of
extreme-ultraviolet to hard X-ray photons, providing ultrashort pulses that are intense …

Modeling of the spectroscopy of core electrons with density functional theory

NA Besley - Wiley Interdisciplinary Reviews: Computational …, 2021 - Wiley Online Library
The availability of X‐ray light sources with increased resolution and intensity has provided a
foundation for increasingly sophisticated experimental studies exploiting the spectroscopy of …

Charge transfer driven by ultrafast spin transition in a CoFe Prussian blue analogue

M Cammarata, S Zerdane, L Balducci, G Azzolina… - Nature Chemistry, 2021 - nature.com
Photoinduced charge-transfer is an important process in nature and technology and is
responsible for the emergence of exotic functionalities, such as magnetic order for cyanide …

[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 …

Free charge carriers in homo-sorted π-stacks of donor–acceptor conjugates

M Madhu, R Ramakrishnan, V Vijay… - Chemical …, 2021 - ACS Publications
Inspired by the high photoconversion efficiency observed in natural light-harvesting systems,
the hierarchical organization of molecular building blocks has gained impetus in the past …

Molecular chirality and its monitoring by ultrafast x-ray pulses

JR Rouxel, S Mukamel - Chemical Reviews, 2022 - ACS Publications
Major advances in X-ray sources including the development of circularly polarized and
orbital angular momentum pulses make it possible to probe matter chirality at …

Highly accurate prediction of core spectra of molecules at density functional theory cost: Attaining sub-electronvolt error from a restricted open-shell Kohn–Sham …

D Hait, M Head-Gordon - The journal of physical chemistry letters, 2020 - ACS Publications
We present the use of the recently developed square gradient minimization (SGM) algorithm
for excited-state orbital optimization to obtain spin-pure restricted open-shell Kohn–Sham …

Challenges for develo** photo-induced phase transition (PIPT) systems: from classical (incoherent) to quantum (coherent) control of PIPT dynamics

S Koshihara, T Ishikawa, Y Okimoto, K Onda, R Fukaya… - Physics Reports, 2022 - Elsevier
This work reviews the experimental studies on photo-induced cooperative phenomena
(photo-induced phase transitions, PIPT), which are related to ultrafast structural and …

Near-infrared II emissive metal clusters: From atom physics to biomedicine

H Ma, J Wang, XD Zhang - Coordination Chemistry Reviews, 2021 - Elsevier
Abstract Near-infrared II (NIR-II) imaging at 1100–1700 nm supports deep tissue
penetration, low auto-fluorescence interruption, and high imaging resolution due to …

Visualizing catalytic dynamics processes via synchrotron radiation multitechniques

D Cao, W Xu, S Chen, C Liu, B Sheng… - Advanced …, 2023 - Wiley Online Library
The importance of catalysts today as workhorses in most modern industrial fields cannot be
downplayed. As a result, rational design and engineering of targeted catalysts have …