Linear Response Functions of Densities and Spin Densities for Systematic Modeling of the QM/MM Approach for Mono- and Poly-Nuclear Transition Metal Systems
Colin K. Kitakawa 1 , Tomohiro Maruyama 1, Jinta Oonari 1, Yuki Mitsuta 1,
Takashi Kawakami 1, Mitsutaka Okumura 1, Kizashi Yamaguchi 2 and Shusuke Yamanaka 1,3,*
1 Graduate School of Science, Osaka University, Osaka 565-0871, Japan
2 Institute for Nanodesign, Osaka University, Osaka 560-8531, Japan
3 Quantum information, Quantum Biology division, Institute for Open and Transdisciplinary Research Initiatives, Osaka University, Osaka 560-8531, Japan