[F203-1am] 04. Physical Chemistry -Properties-

[F203-1am-15] Theoretical studies on electronic properties and magnetic interactions in high-valent trinuclear [Mn3(IV)O4]4+ complex by CASCI-DMRG methods

^○Takashi Kawakami^1,2, Marie Tsuchikawa¹, Masato Torii¹, Koichi Miyagawa³, Shusuke Yamanaka¹, Mitsutaka Okumura¹, Takahito Nakajima², Kizashi Yamaguchi^1,2 (1. Osaka Univ., 2. RIKEN, 3. Univ. Tsukuba)

[Lang.] Japanese

Keywords:high-valent trinuclear Mn complex, CASCI-DMRG method