Article ID Journal Published Year Pages File Type
5394399 Computational and Theoretical Chemistry 2013 4 Pages PDF
Abstract
► We check the nonlinear Casida's N-representability condition. ► The condition is for the natural geminal occupation numbers. ► The bounds depend only on one-fermion properties. ► It is demonstrated that the condition is a tight bound for the PNOF5 approach.
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Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Bounds on the PNOF5 natural geminal occupation numbers
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