Optically active molecular materials, such as organic conjugated polymers and biological
systems, are characterized by strong coupling between electronic and vibrational degrees of …

Time‐Dependent Density Functional Theory (TD‐DFT) has become the most widely‐used
theoretical approach to simulate the optical properties of both organic and inorganic …

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

In the first quarter of the twentieth century, one of the most significant events in physics and
chemistry was the establishment of the quantum theories of radiation, matter, and their …

Time-dependent density functional theory (TDDFT) is presently enjoying enormous
popularity in quantum chemistry, as a useful tool for extracting electronic excited state …

Functional organic materials with enhanced two‐photon absorption lead to new
technologies in the fields of chemistry, biology, and photonics. In this article we review …

Most symmetric quadrupolar molecules designed for two-photon absorption behave as
dipolar molecules in the S1 electronic excited state. This is usually explained by a breakup …

To investigate the effect of branching on linear and nonlinear optical properties, a specific
series of chromophores, epitome of (multi) branched dipoles, has been thoroughly explored …

Time-dependent density functional theory (TDDFT) is a powerful tool allowing for accurate
description of excited states in many nanoscale molecular systems; however, its application …

Time-dependent density-functional theory (TDDFT) extends the basic ideas of ground-state
density-functional theory (DFT) to the treatment of excitations and of more general time …