[A03-3pm] 04. Physical Chemistry -Properties-

[A03-3pm-02] Theoretical study on magnetic interaction in Mn-O2-Mn structure by QMC-CASCI methods

^○Takashi Kawakami^1,2, Yuta Suzuki¹, Marie Tsuchikawa¹, Koichi Miyagawa³, Shusuke Yamanaka¹, Mitsutaka Okumura¹, Takahito Nakajima², Kizashi Yamaguchi^1,2 (1. Osaka Univ., 2. RIKEN, 3. Univ. Tsukuba)

[Lang.] Japanese

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