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Fast Method For Calculating The Self-Consistent Electronic Structure Of Random Alloys, Duane D. Johnson, F. J. Pinski, G. M. Stocks
Fast Method For Calculating The Self-Consistent Electronic Structure Of Random Alloys, Duane D. Johnson, F. J. Pinski, G. M. Stocks
Duane D. Johnson
We describe a computationally efficient method for performing self-consistent-field calculations of the electronic structure of random solid-solution alloys within the multiple-scattering coherent-potential-approximation formalism (KKR-CPA). We utilize a cluster method for solving the KKR-CPA equations and integrate along a contour in the complex-energy plane to reconstruct the single-site electronic densities.