Article ID Journal Published Year Pages File Type
5384824 Chemical Physics Letters 2010 6 Pages PDF
Abstract
► Approximate spin-projection scheme (ASP) with long-range corrected UDFT. ► Applicability of ASP-UBLYP to one-electron reduced density and (hyper)polarizability of diradical molecules. ► Analysis based on the (hyper)polarizability density. ► Diradical character dependences of (hyper)polarizability for diradical molecules.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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