Fully-relativistic full-potential multiple scattering theory: A pathology-free scheme
نویسندگان
چکیده
منابع مشابه
Full-potential multiple scattering theory with space-filling cells for bound and continuum states.
We present a rigorous derivation of a real-space full-potential multiple scattering theory (FP-MST) that is free from the drawbacks that up to now have impaired its development (in particular the need to expand cell shape functions in spherical harmonics and rectangular matrices), valid both for continuum and bound states, under conditions for space partitioning that are not excessively restric...
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ژورنال
عنوان ژورنال: Computer Physics Communications
سال: 2018
ISSN: 0010-4655
DOI: 10.1016/j.cpc.2017.10.011