Positron binding in molecules: published in Nature.

Our many-body approach to positron binding in polyatomic molecules has been published in Nature [J. Hofierka, B. Cunningham, C. M. Rawlins, C. H. Patterson and D. G. Green, Nature 606, 688 (2022)]. (Jaroslav and Brian were joint-first authors.)

As well as providing the first accurate description of over two decades of measurements made by the pioneering group of Prof Cliff Surko at University of California San Diego, our ab initio method provides fundamental insight and predictive capability.

The approach is implemented in our state-of-the-art software EXCITON+, developed at QUB by heavily adapting the EXCITON all-electron many-body theory code of Charles Patterson (Trinity College Dublin).

The work was funded by Dermot’s ERC grant “ANTI-ATOM”.

See the associated news article on the Queen’s University Belfast website.

Stay tuned for more developments!