The rapid developments of computational quantum chemistry methods and supercomputing facilities motivate the renewed interest in the analysis of the muon/electron interactions in μSR experiments with ab initio approaches. Modern simulation methods seem to be able to provide the answers to the frequently asked questions of many μSR experiments: where is the muon? Is it a passive probe? What are the interaction parameters governing the muon-sample interaction? In this review we describe some of the approaches used to provide quantitative estimations of the aforementioned quantities and we provide the reader with a short discussion on the current developments in this field.
Toward the computational prediction of muon sites and interaction parameters / Bonfà, Pietro; De Renzi, Roberto. - In: JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN. - ISSN 0031-9015. - 85:9(2016), pp. 091014-091014. [10.7566/JPSJ.85.091014]
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