Intersystem crossing (ISC), formally forbidden within nonrelativistic quantum theory, is the
mechanism by which a molecule changes its spin state. It plays an important role in the …

A new scientific frontier opened in 2009 with the start of operations of the world's first x-ray
free-electron laser (FEL), the Linac Coherent Light Source (LCLS), at SLAC National …

MOLCAS/OpenMolcas is an ab initio electronic structure program providing a large set of
computational methods from Hartree–Fock and density functional theory to various …

Electrons are the workhorses of solar energy conversion. Conversion of the energy of light to
electricity in photovoltaics, or to energy-rich molecules (solar fuel) through photocatalytic …

Featured Application This article describes the layout of the European XFEL, a soft and hard
X-ray free-electron laser user facility starting operation in 2017. Emphasis is put on the …

Ultrafast electron and X-ray imaging and spectroscopy are the basis for an ongoing
revolution in the understanding of dynamical atomic-scale processes in matter. The …

The past two decades have seen rapid developments in short-pulse X-ray sources, which
have enabled the study of nuclear and electronic dynamics by ultrafast X-ray spectroscopies …

We review the tremendous advances in ultrafast X-ray science, over the past 15 years,
making the best use of new ultrashort X-ray sources including table-top or large-scale …

The metal centres in metalloenzymes and molecular catalysts are responsible for the
rearrangement of atoms and electrons during complex chemical reactions, and they enable …

An overview of both experimental and theoretical results in the field of resonant scattering of
tunable soft and hard x-ray radiation is presented, with a main focus on the closely related …