Bioluminescence is a phenomenon that has fascinated mankind for centuries. Today the
phenomenon and its sibling, chemiluminescence, have impacted society with a number of …

Time-dependent density-functional theory (TDDFT) describes the quantum dynamics of
interacting electronic many-body systems formally exactly and in a practical and efficient …

The open-circuit voltage of organic solar cells is usually lower than the values achieved in
inorganic or perovskite photovoltaic devices with comparable bandgaps. Energy losses …

A computationally simple method for molecular excited states, namely, the Tamm–Dancoff
approximation to time-dependent density functional theory, is proposed and implemented …

Since the electronic Schrödinger equation (SE) was first written down, it was clear that it
cannot be solved exactly for real molecular systems due to the electron-electron interaction …

It is well-known that time-dependent density functional theory (TDDFT) yields substantial
errors for the excitation energies of charge-transfer (CT) excited states, when approximate …

The electrostatic attraction between the separated charges in long-range excited charge-
transfer states originates from the non-local Hartree-Fock exchange potential and is, thus, a …

An extension of density functional theory to situations with significant nondynamical
correlation is presented. The method is based on the spin–flip (SF) approach which is …

Within the adiabatic approximation, time-dependent density functional theory yields only
single excitations. Near states of double excitation character, the exact exchange …

The advancement of high-power and short-pulse laser technology in the past two decades
has generated considerable interest in the study of multiphoton and very high-order …