基于模型势估算极性分子中正电子束缚态
Model potential based estimation of positron bound states with polar molecules
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中文总结 AI 辅助
本研究提出用模型关联势和S矩阵极点法估算极性分子中正电子束缚态结合能，结果与实验及理论数据吻合良好。
中文摘要 AI 辅助
正电子与分子形成束缚态是一个精细研究领域，并且仍需要更简单的技术来估算结合能。入射正电子与分子电子之间的关联起着关键作用，即使在极性分子中也是如此，在这些分子中，静态势水平上也可能发生束缚。在这项工作中，我们使用了一个模型关联势，该势考虑了虚正电子素的形成，用于含氧极性分子的单中心展开散射计算。由此确定的S矩阵通过拟合Pade近似延拓到复动量平面。正电子束缚态通过计算S矩阵的极点位置来估算。与最新的实验和从头计算结果相比，结果看起来相当有前景。
英文摘要
Positron forming a bound state with molecules is an area of meticulous research and remains open to simpler techniques for estimating the binding energy. Correlation between the incoming positron and the molecular electrons plays a crucial role even for polar molecules, where binding is also possible at the static-potential level. In this work, we have used a model correlation potential, which accounts for the virtual positronium formation, in the single-center expansion scattering calculations for polar oxygen-containing molecules. The thus determined S-matrix is continued into the complex momentum plane by fitting it to the Pade approximant. The positron bound state is estimated using the calculated pole position of the S-matrix. The results, compared with the latest experimental and ab initio findings, look quite promising.
发表机构
- Vellore Institute of Technology（维洛尔理工学院）
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