Cu(I) complexes often show transitions of distinct metal-to-ligand charge transfer (MLCT)
character. This can lead to small energy separations between the lowest singlet S 1 and triplet …

High-resolution optical spectroscopy of organometallic triplet emitters reveals detailed insights
into the lowest triplet states and the corresponding electronic and vibronic transitions to …

Recently, a modification of the Newton method for finding a zero of a univariate function with
local cubic convergence has been introduced. Here, we extend this modification to the multi-…

… [5], and Homeier [6], [7] (FSH), Eq. (8), and the new method of Homeier introduced in the …
The results show that the cubically convergent schemes, especially the new method of Homeier …

Spherical harmonics are of considerable importance for computations involving basis functions
corresponding to large values of the angular momentum quantum number ℓ. Their use …

Inspired by molecular crystal theory of coupling symmetry-related transition dipole moments,
we develop a model for rational design of Cu(I) complexes to achieve short TADF (thermally …

Sequence transformations are important tools for the convergence acceleration of slowly
convergent scalar sequences or series and for the summation of divergent series. The basic …

A highly potent donor–acceptor biaryl thermally activated delayed fluorescence (TADF) dye
is accessible by a concise two-step sequence employing two-fold Ullmann arylation and a …

A number of established nonlinear convergence acceleration methods are presented. It is
discussed how these methods, and also some new algorithms, can be applied successfully to …

A class of coordinate transformations depending on a single parameter is studied as quadrature
tool. Working rules for the choice of the parameter are proposed. Numerical tests for the …