Charged excitations are electronic transitions that involve a change in the total charge of a
molecule or material. Understanding the properties and reactivity of charged species …

Dyson orbitals, their electron-binding energies, and probability factors provide descriptions
of electrons in molecules that are experimentally verifiable and that generalize qualitatively …

A new generation of electron-propagator methods for the calculation of electron binding
energies has surpassed its antecedents with respect to accuracy, efficiency, and …

A thorough study of the performance of delta-coupled-cluster (ΔCC) methods for calculations
of core-ionization energies for elements of the first long row of the periodic table is reported …

A new generation of ab initio electron-propagator self-energies recently superseded its
antecedents' accuracy and computational efficiency in calculating vertical ionization …

A new generation of diagonal self-energies for the calculation of electron removal energies
of molecules and molecular ions that has superseded its predecessors with respect to …

Ab initio electron propagator (EP) methods that are free of adjustable parameters in their self-
energy formulae and in the generation of their orbital bases have been applied to the …

A new generation of diagonal self-energy approximations in ab initio electron propagator
theory for the calculation of electron removal energies of molecules and molecular ions has …

The CC2 and ADC (2) wave function models and their spin-component scaled modifications
are adopted for predicting vertical ionization potentials (VIPs) and electron affinities (VEAs) …

The double-hybrid (DH) time-dependent density functional theory is extended to vertical
ionization potentials (VIPs) and electron affinities (VEAs). Utilizing the density fitting …