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 …

Accurate modeling of the response of molecular systems to an external electromagnetic field
is challenging on classical computers, especially in the regime of strong electronic …

Near-term quantum computers are expected to facilitate material and chemical research
through accurate molecular simulations. Several developments have already shown that …

Until today, perturbation-theoretical consistent algebraic diagrammatic construction (ADC)
schemes for the polarization propagator had been derived and implemented up to third …

Near-term quantum devices promise to revolutionize quantum chemistry, but simulations
using the current noisy intermediate-scale quantum (NISQ) devices are not practical due to …

We present implementation of second-and third-order algebraic diagrammatic construction
(ADC) theory for efficient and accurate computations of molecular electron affinities (EA) …

We present a comprehensive excited-state benchmark for the state-averaged (SA) driven
similarity renormalization group (DSRG)[Li, C.; Evangelista, FAJ Chem. Phys. 2018, 148 …

Since in coupled-cluster (CC) theory, ground-state and excitation energies are eigenvalues
of a non-Hermitian matrix, these energies can in principle take on complex values. In this …

The performance of several methods for the calculation of vertical ionization potentials (IPs)
or, more generally, electron-detachment energies based on unitary coupled-cluster (UCC) …

We present a non-Dyson fourth-order algebraic diagrammatic construction formulation of the
electron propagator, featuring the distinct IP-and EA-ADC (4) schemes for the treatment of …