Новости за 26.01.2020

A question that I was wondering about for a while: Are there molecules where the first triplet state lies at a lower energy than the first excited singlet? Apparently there are, as this recent paper in JPCL shows.

In the single-electron picture this is not possible. Singlet and triplet excited states can access the same configuration space and the only difference between singlet and triplet energies is a repulsive exchange term (see my recent post and preprint). This exchange term is always positive and... Читать дальше...

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