The 100th CSJ Annual Meeting

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Academic Program (AP)

Physical Chemistry -Properties-

Physical Chemistry -Properties-

Mon. Mar 23, 2020 1:40 PM - 5:40 PM D3 (K308, Lecture Hall Bldg. [3F])

2D3-29～2D3-33 TAKAHASHI, Kazuyuki
2D3-48～2D3-52 TAKAHASHI, Kiyonori

2:20 PM - 2:30 PM

[2D3-33] Theoretical study on magnetic interaction in Mn-O2-Mn structure by QMC-CASCI methods

Oral A

○KAWAKAMI, Takashi; SUZUKI, Yuta; MITSUHASHI, Ryoma; MIYAGAWA, Koichi; YAMANAKA, Shusuke; OKUMURA, Mitsutaka; NAKAJIMA, Takahito; YAMAGUCHI, Kizashi (RIKEN; Grad. Sch. Sci., Osaka Univ.)

PC Setting Time: 13:30-13:40

Keywords:Mn-O2-Mn, QMC-CASCI method, Quantum Monte-Carlo method

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