195 citations · 420 across the 9 of their papers we have counts for
9 papers
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…
Many-body theory of positron binding in polyatomic molecules
J. Hofierka, B. Cunningham, C. M. Rawlins +2
Positrons bind to molecules leading to vibrational excitation and spectacularly enhanced annihilation. Whilst positron binding energies have been measured via resonant annihilation…
Density fitting in periodic systems: application to TDHF in diamond and oxides
Charles H. Patterson
A robust density fitting method for calculating Coulomb matrix elements over Bloch functions based on calculation of two- and three-center matrix elements of the Ewald potential is…
Magnetic defects promote ferromagnetism in Zn1-xCoxO
Charles H. Patterson
Experimental studies of Zn1-xCoxO as thin films or nanocrystals have found ferromagnetism and Curie temperatures above room temperature and that p- or n-type doping of Zn1-xCoxO ca…
Ab initio many-body calculation of excitons in solid Ne and Ar
S. Galamic-Mulaomerovic, C. H. Patterson
Absorption spectra, exciton energy levels and wave functions for solid Ne and Ar have been calculated from first principles using many-body techniques. Electronic band structures o…
Band structures of rare gas solids within the GW approximation
S. Galamić-Mulaomerović, C. H. Patterson
Band structures for solid rare gases (Ne, Ar) have been calculated using the GW approximation. All electron and pseudopotential ab initio calculations were performed using Gaussian…