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,*

Molecules 2019, 24(4), 821

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