50k_TDDFT_E_f_benzene.zip
收藏Figshare2020-08-04 更新2026-04-08 收录
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资源简介：
50001 geometries of benzene in xyz format and reference TDDFT (CAM-B3LYP/ma-TZVP) values for 10 excitation energies and oscillator strengths at each geometry. Geometries were obtained from a Wigner distribution. The first geometry is an equilibrium geometry.
创建时间：
2020-08-04
