Concepedia

(Hyper)polarizability density analysis for open-shell molecular systems based on natural orbitals and occupation numbers

Masayoshi Nakano, Hitoshi Fukui, Takuya Minami, Kyohei Yoneda, Yasuteru Shigeta, Ryohei Kishi, Benoı̂t Champagne, Edith Botek, Takashi Kubo, Koji Ohta,

Theoretical Chemistry Accounts · 2011 · 140 citations · 97 references

DOI

Concepts

References

97

A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)

Takeshi Yanai, David P. Tew, Nicholas C. Handy · Chemical Physics Letters · 2004 · 14.8K citations

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Half-metallic graphene nanoribbons

Young‐Woo Son, Marvin L. Cohen, Steven G. Louie · Nature · 2006 · 4.2K citations · Full text

A long-range correction scheme for generalized-gradient-approximation exchange functionals

Hisayoshi Iikura, Takao Tsuneda, Takeshi Yanai et al. · The Journal of Chemical Physics · 2001 · 2.4K citations

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A long-range-corrected time-dependent density functional theory

Yoshihiro Tawada, Takao Tsuneda, Susumu Yanagisawa et al. · The Journal of Chemical Physics · 2004 · 1.9K citations

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The Electronic Properties of Diradicals

Lionel Salem, Colin Rowland · Angewandte Chemie International Edition in English · 1972 · 1K citations

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