The GW approximation in electronic structure theory has become a widespread tool for
predicting electronic excitations in chemical compounds and materials. In the realm of …

We review the many-body Green's function Bethe–Salpeter equation (BSE) formalism that is
rapidly gaining importance for the study of the optical properties of molecular organic …

Abstract yambo is an open source project aimed at studying excited state properties of
condensed matter systems from first principles using many-body methods. As input, yambo …

The field of organic electronics has been heavily impacted by the discovery and
development of π-conjugated conducting polymers. These polymers show great potential for …

The molecular exciton model has received its mostextensive development and application in
the field ofmolecular crystals1• 2• More recently, numerous applications to non-crystalline …

We perform benchmark calculations of the Bethe–Salpeter vertical excitation energies for
the set of 28 molecules constituting the well-known Thiel's set, complemented by a series of …

In varying contexts, the terms “energy gap”(energy difference) or “band gap” may refer to
different experimentally observable quantities or to calculated values that may or may not …

Many-body Green's function perturbation theories, such as the GW and Bethe–Salpeter
formalisms, are starting to be routinely applied to study charged and neutral electronic …

The accurate prediction of the optical signatures of cyanine derivatives remains an important
challenge in theoretical chemistry. Indeed, up to now, only the most expensive quantum …

We have evaluated the accuracy of the Bethe-Salpeter singlet–triplet transition energies as
well as singlet–triplet and triplet–triplet splittings for 20 organic molecules, using as …