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The EPMD-LMTO program for electron–positron momentum density calculations in solids

2003; Elsevier BV; Volume: 28; Issue: 2 Linguagem: Inglês

10.1016/s0927-0256(03)00114-9

1879-0801

B. Barbiellini, S. B. Dugdale, T. Jarlborg,

Advanced Chemical Physics Studies

A package to calculate the momentum densities measured in positron annihilation and Compton scattering experiments is presented. The theoretical background to the method and the unique features of the package are explained. The application of the method to a variety of systems is illustrated with examples chosen to highlight how such calculations have been essential to the interpretation of the experiments.