[P1-2am] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

[P1-2am-14] Assessment of relativistic quantum chemical calculations for actinide/lanthanide separation techniques.

^○Tsuyoshi Sumiyoshi¹, Nahoko Kuroki^1,2, Hirotoshi Mori¹ (1. Chuo University, 2. JST ACT-X)

[Lang.] Japanese

Keywords:f block elements, chemical bond, relativistic effect, ab initio molecular orbital calculations, density functional theory