We present an orbital-resolved extension of the Hubbard U correction to density-functional theory (DFT). Compared to the conventional shell-averaged approach, the prediction of energetic, electronic ...

Background: Few studies have explored the relationship between macronutrient intake and sleep outcomes using daily data from mobile apps. Objective: This cross-sectional study aimed to examine the ...

The International Journal of Innovation Management (IJIM) addresses the many challenges of managing innovation, rather than being item-focused.

Quantum-mechanical simulations of charge and exciton transfer in molecular organic materials are a key method to increase our understanding of organic semiconductors. Our goal is to build an efficient ...