This article summarizes technical advances contained in the fifth major release of the Q-
Chem quantum chemistry program package, covering developments since 2015. A …

Solar energy is an ample renewable energy resource, with photovoltaic (PV) technology
enabling a direct route from light to electricity. Currently, PVs are limited in photon …

The electronic excited states of molecular aggregates and their photophysical signatures
have long fascinated spectroscopists and theoreticians alike since the advent of Frenkel …

This account aims at providing an understanding of singlet fission, ie, the photophysical
process of a singlet state (S1) splitting into two triplet states (2× T1) in molecular …

Singlet fission is a photophysical reaction in which a singlet excited electronic state splits
into two spin-triplet states. Singlet fission was discovered more than 50 years ago, but the …

Singlet fission (SF) is a photophysical downconversion pathway, in which a singlet excitation
transforms into two triplet excited states. As such, it constitutes an exciton multiplication …

A summary of the technical advances that are incorporated in the fourth major release of the
q-Chem quantum chemistry program is provided, covering approximately the last seven …

Singlet exciton fission is a carrier multiplication process in organic semiconductors that
generates two electron–hole pairs for each photon absorbed. Singlet fission occurs on sub …

Open-shell molecules such as radicals, carbenes, and electronically excited-state molecules
exhibit high energies, and thus, in general, they are quite reactive. 1 The short-lived species …

Singlet fission (SF) has the potential to supersede the traditional solar energy conversion
scheme by means of boosting the photon-to-current conversion efficiencies beyond the 30 …