Positron annihilation spectroscopy is particularly suitable for studying vacancy-type
defects<? format?> in semiconductors. Combining state-of-the-art experimental and …

Positron is an excellent probe of lattice defects in solids. A thermallized positron delocalized
in lattice can be trapped at open volume defects, eg vacancies, dislocations, grain …

We present an overview of the variational and diffusion quantum Monte Carlo methods as
implemented in the casino program. We particularly focus on developments made in the last …

Quantum chemical calculations of the ground-state properties of positron-molecule
complexes are challenging. The main difficulty lies in employing an appropriate basis set for …

Excitonic effects play a particularly important role in the optoelectronic behavior of two-
dimensional semiconductors. To facilitate the interpretation of experimental photoabsorption …

The positron, as the antiparticle of the electron, can form metastable states with atoms and
molecules before its annihilation with an electron. Such metastable matter–positron …

Tungsten is considered to be used in the future fusion reactors as plasma-facing material. In
such extreme environments, defects are induced in materials that modify their macroscopic …

Microstructural and magnetic properties of the Mn 2 FeSi and Mn 2 FeAl alloys prepared in
the bulk form have been investigated. Cylinder-shaped ingots produced by induction melting …

Several first-principles calculations of positron-annihilation characteristics in solids have
added gradient corrections to the local-density approximation within the theory by Arponen …

The quantum effect of light nuclei in materials is usually considered as lattice vibration and
zero-point motion from an ab initio perspective. Here we start from full-quantized particles …