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vertical transition energy
释义
vertical transition energy
Encyclopedia
理学
计算与理论化学
释
vertical transition energy
垂直跃迁能
如果计算激发态能量时不经构型优化,直接采用基态稳定分子的结构参数做单点计算时基态到第一激发态的跃迁能。又称垂直激发能。
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