58 citations · 81 across the 9 of their papers we have counts for
3 papers · 1 filter
A Transcorrelated Wave-Function Framework for Solids: An Application to Bulk and Defected Silicon
Kristoffer Simula, Johannes Hauskrecht, Evelin Martine Corvid Christlmaier +4
Accurate wave-function descriptions of pristine and defected solids remain challenging due to the simultaneous presence of finite-size, basis-set, and correlation errors. While emb…
Quantum Monte Carlo study of Doppler broadening of positron annihilation radiation in semiconductors and insulators
Kristoffer Simula, Jan Härkönen, Iuliia Zhelezova +3
Positron annihilation in solid state matter can be utilized to detect and identify open-volume defects. The momentum distribution of the annihilation radiation is an important obse…
Split Ga vacancies and the unusually strong anisotropy of positron annihilation spectra in -GaO
Antti Karjalainen, Vera Prozheeva, Kristoffer Simula +4
We report a systematic first principles study on positron annihilation parameters in the -GaO lattice and Ga mono-vacancy defects complemented with orientation-dependent…