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• W2048982783 abstract "Abstract The system of ordinary differential equations for the method of the gentlest ascent dynamics (GAD) has been derived which was previously proposed [W. E and X. Zhou, Nonlinearity 24, 1831 (2011)]. For this purpose we use diverse projection operators to a given initial direction. Using simple examples we explain the two possibilities of a GAD curve: it can directly find the transition state by a gentlest ascent, or it can go the roundabout way over a turning point and then find the transition state going downhill along its ridge. An outlook to generalised formulas for higher order saddle-points is added." @default.
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• W2048982783 date "2013-09-01" @default.
• W2048982783 modified "2023-10-16" @default.
• W2048982783 title "Locating transition states on potential energy surfaces by the gentlest ascent dynamics" @default.
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• W2048982783 doi "https://doi.org/10.1016/j.cplett.2013.07.074" @default.
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