Abstract SERENITY [J Comput Chem. 2018; 39: 788–798] is an open‐source quantum
chemistry software that provides an extensive development platform focused on quantum …

The past years since the publication of our review on subsystem density‐functional theory
(sDFT)(WIREs Comput Mol Sci. 2014, 4: 325–362) have witnessed a rapid development and …

The theoretical understanding of photoinduced processes in multichromophoric systems
requires, as an essential ingredient, the possibility of accurately describing their …

We analyze the ability of subsystem time‐dependent density‐functional theory (sTDDFT) to
describe environmental response effects. To this end, we utilize the recently proposed …

Light harvesting complex II (LHCII) in plants and green algae have been shown to adapt
their absorption properties, depending on the concentration of sunlight, switching between a …

We investigate the possibility of describing protein response effects on a chromophore
excitation by means of subsystem time-dependent density-functional theory (sTDDFT) in …

Quantum embedding electronic structure methods КОРЗИНА ПОИСК НАВИГАТОР
ЖУРНАЛЫ КНИГИ ПАТЕНТЫ ПОИСК АВТОРЫ ОРГАНИЗАЦИИ КЛЮЧЕВЫЕ СЛОВА …

Subsystem density-functional theory compiles a set of features that allow for efficiently
calculating properties of very large open-shell radical systems such as organic radical …

Time-dependent density functional theory (TDDFT) based approaches have been
developed in recent years to model the excited-state properties and transition processes of …

Localized molecular orbitals are often used for the analysis of chemical bonds, but they can
also serve to efficiently and comprehensibly compute linear response properties. While …