This Perspective attempts to shed light on developments in the theoretical and experimental
study of molecular anions highlighting more recent workers in the field. The species I …

Gas-phase anions present an ideal playground for the exploration of excited-state dynamics.
They offer control in terms of the mass, extent of solvation, internal temperature, and …

The power of quantum chemistry to predict the ground and excited state properties of
complex chemical systems has driven the development of computational quantum chemistry …

We present an ab initio computational study of the Auger electron spectrum of benzene.
Auger electron spectroscopy exploits the Auger–Meitner effect, and although it is …

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 …

Dissociative electron attachment, that is, the cleavage of chemical bonds induced by low-
energy electrons, is difficult to model with standard quantum-chemical methods because the …

We report a combined experimental and theoretical investigation of electron–molecule
interactions using pyrrole as a model system. Experimental two-dimensional electron energy …

In this work, we investigate the capability of using real-time time-dependent density
functional theory (RT-TDDFT) in conjunction with a complex absorbing potential (CAP) to …

Calculations of first-order response wave functions in the X-ray regime often diverge within
correlated frameworks such as equation-of-motion coupled-cluster singles and doubles …

We present the theory for the evaluation of nonadiabatic couplings (NACs) involving
resonance states within the complex absorbing potential equation-of-motion coupled-cluster …