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[求助] 求大家帮忙翻译一句话

最近看到一篇文章的一句话，不明白什么意思，求大家帮忙翻译一下，整段是：
Abstract. Lennard-Jones parameters for use in combustion modeling, as transport
parameters and in pressure-dependent rate-coefficient calculations as collision rate
parameters, are calculated from accurate full-dimensional intermolecular potentials.
Several first-principles theoretical methods are considered. In the simplest approach, the
intermolecular potential is isotropically averaged and used to determine Lennard-Jones
parameters. This method works well for small species, but it is not suitable for larger
species due to unphysical averaging over the repulsive wall. Another method considered
is based on full-dimensional trajectory calculations of binary collisions. This method is
found to be very accurate, predicting Lennard-Jones collision rates within ~10% of those
obtained via tabulated (experimentally-based) Lennard-Jones parameters. Finally, a
computationally efficient method is presented based on one-dimensional minimizations
averaged over the colliding partners’ relative orientations.

大家帮忙看看 unphysical averaging over the repulsive wall.这句是什么意思啊？

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1楼 2015-04-08 16:53:47

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