Algebraic diagrammatic construction (ADC) schemes represent a family of ab initio methods
for the calculation of excited electronic states and electron-detached and-attached states. All …

This Perspective discusses salient features of the spin-flip approach to strong correlation
and describes different methods that sprung from this idea. The spin-flip treatment exploits …

Like adiabatic time-dependent density-functional theory (TD-DFT), the Bethe–Salpeter
equation (BSE) formalism of many-body perturbation theory, in its static approximation, is …

Molecular magnets, defined here as organic polyradicals, can be used as building blocks in
the fabrication of novel and structurally diverse magnetic light-weight materials. We present …

The method of increments is herein applied to produce accurate singlet–triplet gaps in a
variety of challenging polyatomic systems involving main group elements. This strategy …

Density-based wave function analysis enables unambiguous comparisons of the electronic
structure computed by different methods and removes ambiguity of orbital choices. We use …

While the conventional variants of the algebraic-diagrammatic construction (ADC) scheme
for the polarization propagator are generally incapable of correctly describing the topology …

We report an implementation of a spin-flip variant of the second-order approximate coupled-
cluster singles and doubles (CC2) method. The resolution-of-the-identity approximation or …

An ad hoc modification of the algebraic-diagrammatic construction (ADC) scheme for the
polarization propagator is presented. Within this approach, all first-order Møller–Plesset …

The algebraic‐diagrammatic construction scheme (ADC) for the polarization propagator is
introduced and the key steps of the original derivation via Green's functions as well as a …