[P1-3pm] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

[P1-3pm-01] Development of spin-symmetry-adapted time-dependent density-functional tight-binding method

^○Takeshi Yoshikawa¹, Uratani Hiroki², ohno riku¹, sakata ken¹, nakai hiromi^2,3,4 (1. Toho Univ. Phar, 2. Waseda Univ. ASE, 3. Waseda Univ. WISE, 4. Kyoto Univ. ESICB)

[Lang.] Japanese

Keywords:conical intersection, density-functional tight-binding method, spin-flip excitation, spin contamination