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首页> 外文期刊>The Journal of Chemical Physics >Response to 'Comment on 'Multireference configuration interaction calculations for positronium halides' ' [J.Chem.Phys.123,017101 (2005)]
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Response to 'Comment on 'Multireference configuration interaction calculations for positronium halides' ' [J.Chem.Phys.123,017101 (2005)]

机译：对“关于'卤化铁的多参考构型相互作用计算的评论'”的回应[J.Chem.Phys.123,017101（2005）]

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摘要

We estimated the two-photon annihilation rates for Ps halides by an extrapolation,and predicted the Ps halide structures by comparison with the estimated annihilation rates.Mitroy and Bromley claim that this prediction is invalid.Their reason is that the Ps halide structures are predicted using unreliable annihilation rates estimated by an extrapolation which is not based on any physical principle.This is possible,and our prediction may not be accurate.They also assert that our annihilation rates for Ps halides are underestimates,because the annihilation rate for PsH,LiPs,NaPs,and KPs calculated with explicitly correlated functions is larger than that for Ps.This claim cannot be justified.We explain as follows.
机译：我们通过外推法估算了Ps卤化物的双光子an灭率，并通过与估计的an灭率进行比较来预测Ps卤化物的结构.Mitroy和Bromley声称这种预测是无效的，其原因是使用通过不基于任何物理原理的推断估算的不可靠的ni灭率。这是可能的，而且我们的预测可能不准确。他们还断言，由于PsH，LiPs的the灭率，我们对Ps卤化物的an灭率被低估了。 NaPs和使用显式相关函数计算的KPs大于Ps。此说法不能成立。我们解释如下。

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