38 citations · 104 across the 4 of their papers we have counts for
4 papers
Many-Body Theory Calculations of Positron Scattering and Annihilation in H, N and CH
C. M. Rawlins, J. Hofierka, B. Cunningham +2
The recently developed ab initio many-body theory of positron molecule binding [J. Hofierka et al., Nature, 606, 688 (2022)] is combined with the shifted pseudostates method [A. R.…
Many-body Theory Calculations of Positron Binding to Halogenated Hydrocarbons
J. P. Cassidy, J. Hofierka, B. Cunningham +3
Positron binding energies in halogenated hydrocarbons are calculated \emph{ab initio} using many-body theory. For chlorinated molecules, including planars for which the interaction…
Electronic Structure of Chromium Trihalides beyond Density Functional Theory
Swagata Acharya, Dimitar Pashov, Brian Cunningham +5
We explore the electronic band structure of free standing monolayers of chromium trihalides, CrX\textsubscript{3}{, X= Cl, Br, I}, within an advanced \emph{ab-initio} theoretical a…
Optical response and band structure of LiCoO2 including electron-hole interaction effects
Santosh Kumar Radha, Walter R. L. Lambrecht, Brian Cunningham +3
The optical response functions and band structures of LiCoO are studied at different levels of approximation, from density functional theory (DFT) in the generalized gradient a…