This article summarizes technical advances contained in the fifth major release of the Q-
Chem quantum chemistry program package, covering developments since 2015. A …

TURBOMOLE is a collaborative, multi-national software development project aiming to
provide highly efficient and stable computational tools for quantum chemical simulations of …

An up-to-date overview of the CFOUR program system is given. After providing a brief
outline of the evolution of the program since its inception in 1989, a comprehensive …

Elementary processes associated with ionization of liquid water provide a framework for
understanding radiation-matter interactions in chemistry and biology. Although numerous …

A molecule's spectrum encodes information about its structure and electronic properties. It is
a unique fingerprint that can serve as a molecular ID. Quantum chemistry calculations …

We show that attosecond core-level spectroscopy is a powerful tool for investigating
molecular dynamics due to its combined attosecond temporal resolution and the broad …

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 …

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 …

Understanding the relaxation pathways of photoexcited molecules is essential to gain
atomistic-level insight into photochemistry. We performed a time-resolved study of ultrafast …

Conspectus The availability of new light sources combined with the realization of the unique
capabilities of spectroscopy in the X-ray region has driven tremendous advances in the field …