Morphologies crucially determine the optoelectronic properties of organic semiconductors.
Therefore, hierarchical and supramolecular approaches have been developed for targeted …

We present the theory, implementation, and benchmarking of a real-time time-dependent
density functional theory (RT-TDDFT) module within the RMG code, designed to simulate …

We report a theoretical analysis showing that Rayleigh scattering could be used to monitor
the growth of nanoparticles under arc discharge conditions. We compute the Rayleigh …

The processing and material properties of commercial organic semiconductors, for eg
fullerenes is largely controlled by their precise arrangements, specially intermolecular …

Creation of charge transfer (CT) states in bulk heterojunction systems such as C60/polymer
blends is an important intermediate step in the creation of carriers in organic photovoltaic …

The restricted excitation subspace approximation is explored as a basis to reduce the
memory storage required in linear response time-dependent density functional theory …

The anticommutative Green's functions and the energy spectrum of fullerene C 60 have
been calculated using the Hubbard model in the mean-field approximation. Based on the …

Anticommutator Green's functions and the energy spectrum of C 60 fullerene are calculated
in the approximation of static fluctuations within the Hubbard model. On the basis of this …

Energy spectrum of fullerene C 60 is calculated in the approximation of static fluctuations
within the Hubbard model. Allowed optical transitions are chosen in the approximation of …

В рамках модели Хаббарда в приближении среднего поля вычислены
антикоммутаторные функции Грина и энергетический спектр фуллерена С6 0. На …