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Subroutine package for calculating molecular structures by the paramagnetic-additive method

✍ Scribed by D. K. Danovich; V. G. Zakzhevskii; V. K. Voronov

Publisher
SP MAIK Nauka/Interperiodica
Year
1986
Tongue
English
Weight
182 KB
Volume
27
Category
Article
ISSN
0022-4766

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We present a subroutinepackage for the computation of Green's functions ofrelaxed surfaces and the bulk within the framework ofa tight-binding basis. The application of a highly convergent renormalization scheme allows treatment of large unit cells and may include spin-orbit interaction in a suitabl