We consider several spin-unrestricted random-phase approximation (RPA) variants for calculating correlation energies, with and without range separation, and test them on datasets of atomization energies and reaction barrier heights. We show that range separation greatly improves the accuracy of all RPA variants for these properties. Moreover, we show that a RPA variant with exchange, hereafter ...

A technique for the determination of serum selenium by electrothermal atomization laser-induced fluorescence (ETA-LIF) spectrometry is discussed. Far-UV radiation used for Se excitation at 196.026 nm was generated as the second anti-Stokes stimulated Raman shift of the output of a frequency doubled dye laser operating near 234 nm. Owing to the high spectral selectivity and high sensitivity of t...

A class of macromolecules based on the architecture of the well-known fullerenes is theoretically investigated. The building blocks used to geometrically construct these molecules are the two dimensional structures: porous graphene and biphenylene-carbon. Density functional-based tight binding methods as well as reactive molecular dynamics methods are applied to study the electronic and structu...

When a high-speed gas flow destabilizes liquid jet into spray (atomization), the gas-liquid interface undergoes instabilities that play key role in breakup events. We use backlit imaging to track maxima of such interfacial perturbations as they get stretched and accelerated by phase. The spatial gradients local ensemble-averaged velocity statistics exhibit two regimes with respect Reynolds numb...