Locally Self-Consistent Multiple Scattering (LSMS) Method The locally self-consistent multiple scattering (LSMS) method is an order-N approach to the calculation of the electronic structure of large systems within the local density approximation (LDA). It is based on the observation that a good approximation to the electron density and the density of states on a particular atom within a large system, and thereby the total energy of that system, can be obtained by considering only the electronic multiple scattering processes in a finite spatial region centered at that atom. (Source: http://www.psc.edu/)
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References in zbMATH (referenced in 3 articles )
Showing results 1 to 3 of 3.
- Chen, Huajie; Ortner, Christoph: QM/MM methods for crystalline defects. I: Locality of the tight binding model (2016)
- Wills, John M.; Alouani, Mebarek; Andersson, Per; Delin, Anna; Eriksson, Olle; Grechnyev, Oleksiy: Full-potential electronic structure method. Energy and force calculations with density functional and dynamical mean field theory (2010)
- Wang, Yang; Stocks, G. M.; Nicholson, D. M. C.; Shelton, W. A.: The first principles (O[N]) LSMS method and its applications to magnetic structure of alloys (1998)