ZIndo calculation on excitation energies - Chemistry版

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Chemistry版 - ZIndo calculation on excitation energies

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话题: energies话题: excitation话题: zindo

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U**R
发帖数: 400

My ZIndo calculation gives me the excitation energies. I know experimentally
the S1-->S0 energy. So, should I shift all the excitation energies, or
should I scale them?

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