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Computational photochemistry potential energy surfaces

In the last two decades ab initio calculation methods were massively applied to the study of nonadiabatic phenomena, and more complex situations, such as multiple avoided crossings and conical intersections, were found to be important in spectroscopy, collision dynamics, and photochemistry (see Refs. 6, 7 and refs, therein). The accent gradually shifted from simplified models of the dynamics to the accurate and computationally efficient determination of potential energy surfaces and... [Pg.853]


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