New free-electron laser and high-harmonic generation X-ray light sources are capable of
supplying pulses short and intense enough to perform resonant nonlinear time-resolved …

Electronic resonances are states that are unstable towards loss of electrons. They play
critical roles in high-energy environments across chemistry, physics, and biology but are …

Real-space grids are a powerful alternative for the simulation of electronic systems. One of
the main advantages of the approach is the flexibility and simplicity of working directly in real …

Absorbing boundaries are frequently employed in real-time propagation of the Schrödinger
equation to remove spurious reflections and efficiently emulate outgoing boundary …

Ionizing rays cause damage to genomes, proteins, and signaling pathways that normally
regulate cell activity, with harmful consequences such as accelerated aging, tumors, and …

The theoretical description of electronic resonances is extended beyond calculations of
energies and lifetimes. We present the formalism for calculating Dyson orbitals and …

A Coulomb density is special because it determines not only its Hamiltonian but the degree
of excitation as well. We derive Euler equations for excited-state energies and densities that …

The theoretical characterization of temporary anions is an especially challenging problem. In
the present study we assess the performance of several electronic structure methods when …

The quantum chemical calculation of autoionisation resonances in many-electron systems is
a highly challenging task due to the ionisation continuum involved. Recently, advances were …

Measuring the nonlinear response of electrons and nuclei to attosecond broadband X-ray
radiation has become possible by newly developed free electron lasers and high harmonic …