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- W2952207738 abstract "We present a self-consistent electronic structure calculation method based on the {it Exact Muffin-Tin Orbitals} (EMTO) Theory developed by O. K. Andersen, O. Jepsen and G. Krier (in {it Lectures on Methods of Electronic Structure Calculations}, Ed. by V. Kumar, O.K. Andersen, A. Mookerjee, Word Scientific, 1994 pp. 63-124) and O. K. Andersen, C. Arcangeli, R. W. Tank, T. Saha-Dasgupta, G. Krier, O. Jepsen, and I. Dasgupta, (in {it Mat. Res. Soc. Symp. Proc.} {bf 491}, 1998 pp. 3-34). The EMTO Theory can be considered as an {it improved screened} KKR (Korringa-Kohn-Rostoker) method which is able to treat large overlapping potential spheres. Within the present implementation of the EMTO Theory the one electron equations are solved exactly using the Green's function formalism, and the Poisson's equation is solved within the {it Spherical Cell Approximation} (SCA). To demonstrate the accuracy of the SCA-EMTO method test calculations have been carried out." @default.
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- W2952207738 date "2000-05-19" @default.
- W2952207738 modified "2023-10-14" @default.
- W2952207738 title "Application of the Exact Muffin-Tin Orbitals Theory: the Spherical Cell Approximation" @default.
- W2952207738 cites W220589034 @default.
- W2952207738 doi "https://doi.org/10.48550/arxiv.cond-mat/0005313" @default.
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