Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5384824 | Chemical Physics Letters | 2010 | 6 Pages |
Abstract
⺠Approximate spin-projection scheme (ASP) with long-range corrected UDFT. ⺠Applicability of ASP-UBLYP to one-electron reduced density and (hyper)polarizability of diradical molecules. ⺠Analysis based on the (hyper)polarizability density. ⺠Diradical character dependences of (hyper)polarizability for diradical molecules.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Masayoshi Nakano, Takuya Minami, Hitoshi Fukui, Kyohei Yoneda, Yasuteru Shigeta, Ryohei Kishi, Benoît Champagne, Edith Botek,