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A fast configuration space method for solving local Kohn–Sham equations

✍ Scribed by M. Aichinger; E. Krotscheck


Book ID
116374334
Publisher
Elsevier Science
Year
2005
Tongue
English
Weight
486 KB
Volume
34
Category
Article
ISSN
0927-0256

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We describe a rapidly converging algorithm for solving the Kohn-Sham equations and equations of similar structure that appear frequently in calculations of the structure of inhomogeneous electronic many-body systems. The algorithm has its roots in the Hohenberg-Kohn theorem and solves directly for t