PACme: A versatile computer code for simulation and analysis of TDPAC spectra with generalized time-dependent magnetic and electric quadrupole hyperfine fields
Description
PACme is a C++ computer code developed and optimized for the simulation, data analysis, and visualization of experimental (Time Differential) Perturbed Angular Correlations (PAC) observables resulting from both static and dynamic (time-dependent) magnetic and electric quadrupole hyperfine fields. The program is fully generalized to simultaneously handle fractions of probe atoms in different environments, each subject to static or multiple transient states. The code works for an arbitrary probe nuclear spin embedded in single-crystal or polycrystalline materials. A distinctive feature of PACme is the analytical treatment of static hyperfine field distributions, which are incorporated directly into the Hamiltonian formulation, even in the study of dynamic interactions. This approach is motivated by the fact that distributions of electric field gradients or magnetic fields around probe atoms-often caused by uncorrelated defects-are common and have a significant impact on the resulting PAC spectra. This article presents the implementation, structure, and usage of the PACme code as a general-purpose tool for the simulation and analysis of TDPAC spectra.