摘要: In this article, I review some of the best available quantum dynamical approaches for studying bimolecular chemical reactions. Calculating thermal rate constant is central in theoretical chemistry and there a focus on this. begin by motivating need dynamics before giving general overview. Thereafter, give expressions calculating constants. This followed brief description time-independent scattering calculations. Next comes longer section time-dependent including wave packet approach, multiconfigurational Hartree approach ring polymer molecular dynamics. Finally, make concluding remarks. © 2014 Wiley Periodicals, Inc.
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