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Formulation of Strutinsky's method for atomic systems in the extended Kohn–Sham scheme
Authors:A. I. Kuleff  Y. I. Delchev  P. Tz. Yotov  Tz. Mineva  J. Maruani
Abstract:Strutinsky's standard averaging method is formulated in the framework of the extended Kohn–Sham scheme and a two‐step procedure permitting the application of the method is proposed. A Taylor‐series expansion of the ground‐state energy‐function of the occupation numbers is derived, which involves the averaged energy as the leading term and shell corrections as smaller terms. Numerical applications for atoms and ions from Be through Ar are presented and discussed. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem, 2002
Keywords:Strutinsky's method  extended Kohn–  Sham scheme  shell effects  atomic structure
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