Analysis of the zero‐point energy problem in classical trajectory simulations
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.470853
Reference26 articles.
1. A low‐energy quasiclassical trajectory study of O(3P)+OH(2Π)→O2(3Σ−g)+H(2S). II. Rate constants and recrossing, zero‐point energy effects
2. A detailed state‐to‐state low‐energy dynamics study of the reaction O(3P)+OH(2Π)→O2(X̃ 3Σg−)+H(2S) using a quasiclassical trajectory–internal‐energy quantum‐mechanical‐threshold method
3. Excitation function for H+O2 reaction: A study of zero‐point energy effects and rotational distributions in trajectory calculations
4. Dynamics calculations and isotopic effect in O + OH(D)? O2+ H(D) at low energies
5. A novel non-active model to account for the leak of zero-point energy in trajectory calculations. Application to H + O2 reaction near threshold
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