The nitrogen-vacancy (NV) center in diamond is a solid-state defect qubit with favorable
coherence time up to room temperature, which could be harnessed in several quantum …

Self-assembled monolayers using functionalized cage molecules offer distinct advantages
because of their symmetry, lack of conformational flexibility, and well-defined chemistries …

The unusual electronic properties of diamondoids, the nanoscale relatives of diamond,
make them attractive for applications ranging from drug delivery to field emission displays …

A common fingerprint of the electrically active point defects in semiconductors is the
transition between their localized defect states upon excitation, which may result in …

We investigate optical absorption spectra obtained through time-dependent density
functional theory (TD-DFT) based on nonempirical hybrid functionals that are designed to …

This book investigates the possible ways of improvement by applying more sophisticated
electronic structure methods as well as corrections and alternatives to the supercell model …

The development of theories and methods devoted to the accurate calculation of the
electronic quasi-particle states and levels of molecules, clusters and solids is of prime …

The nitrogen-vacancy (NV) center in diamond is a widely utilized system due to its useful
quantum properties. Almost all research focuses on the negative charge state (NV−) and …

We investigated the changes in electronic structures induced by chemical functionalization
of the five smallest diamondoids using valence photoelectron spectroscopy. Through the …

The great properties of the paramagnetic nitrogen-vacancy (NV) color center in diamond
predestine it for nanoscale sensor applications; however, these properties are often …