[A03-1pm] 20. Materials Chemistry -Basic and Application-

[A03-1pm-01] Comparison of TD-DFT and semi-empirical methods for description of spectral properties of anthraquinone dyes using X-ray crystal structure.

^○JIYONG HWANG¹, Sunghoon Kim ¹, Shinya Matsumoto¹ (1. Yokohama National University)

[Lang.] English

Keywords:Anthraquinone dyes, Electronic state, Molecular orbital calculation, Organic dyes