Article ID Journal Published Year Pages File Type
5394398 Computational and Theoretical Chemistry 2013 9 Pages PDF
Abstract
► There is a Kohn-Sham-type system in the framework of RDMFT. ► This system can be used in a self consistent minimization scheme. ► New convergence measures are introduced. ► Example calculations demonstrate the benefits of the new methods.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Minimization procedure in reduced density matrix functional theory by means of an effective noninteracting system
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