Presentation Information

4:25 PM - 4:35 PM JST(7:25 AM - 7:35 AM UTC)Japanese

[F1233-1vn-04]Theoretical study on functional dependency of density functional theory method for magnetic anisotropy of dysprosium(III) metallocene complex.

○Ren Inoue¹, Kaito Taka¹, Koki Masuda², Yasutaka Kitagawa^2,3,4,5,6, Ryohei Kishi^2,3,4,5 (1. Faculty of Engineering Science, Osaka University, 2. Graduate School of Engineering Science, Osaka University, 3. QIQB, Osaka University , 4. RCSEC, Osaka University, 5. ICS, Osaka University, 6. SRN, Osaka University)

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Keywords:

single-molecule magnets (SMMs),dysprosium metallocene complex,quantum chemical calculation,density functional theory (DFT) method,magnetic anisotropy

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