Attosecond science requires a substantial rethinking of how to make measurements on very
short timescales; how to acquire the necessary equipment, technology, and personnel; and …

Exotic quantum phases, arising from a complex interplay of charge, spin, lattice and orbital
degrees of freedom, are of immense interest to a wide research community. A well-known …

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 …

We theoretically investigate the influence of diradical electron spin coupling on the time-
resolved X-ray absorption spectra of the photochemical ring opening of furanone. We predict …

The exposure of molecules to attosecond extreme-ultraviolet (XUV) pulses offers a unique
opportunity to study the early stages of coupled electron–nuclear dynamics in which the role …

We formulate a one-center nonorthogonal configuration interaction singles (1C-NOCIS)
theory for the computation of core excited states of an initial singlet state with two unpaired …

We present an ab initio computational study of the Auger spectra of methane, ethane,
ethylene, and acetylene. Auger spectroscopy is an established technique to probe the …

Simulations of photochemical reaction dynamics have been a challenge to the theoretical
chemistry community for some time. In an effort to determine the predictive character of …

Abstract X-ray Transient Absorption Spectroscopy (XTAS) is a powerful probe for ultrafast
molecular dynamics. The evolution of XTAS signal is controlled by the shapes of potential …

Since their introduction, all-optical spectroscopy techniques based on attosecond radiation
have gained the attention of the scientific community because of their energy and time …