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singlet–triplet crossing

Point of intersection between the potential energy surfaces of states of different multiplicity.
The intersection belongs to a (3 N − 7)-dimensional subspace of the (3 N − 6)-dimensional nuclear coordinate space and therefore appears as a line on a two-dimensional energy surface (N is the number of nuclei). In this case the branching plane is one-dimensional and is defined by the gradient difference vector x 1.
PAC, 2007, 79, 293 (Glossary of terms used in photochemistry, 3rd edition (IUPAC Recommendations 2006)) on page 421
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IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997). XML on-line corrected version: (2006-) created by M. Nic, J. Jirat, B. Kosata; updates compiled by A. Jenkins. ISBN 0-9678550-9-8.
Last update: 2014-02-24; version: 2.3.3.
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