Positron binding energies and annihilation spectra are calculated using the positron-electron correlation-polarization potential model for a series of six chloroethene molecules. From detailed analysis of the positron densities and positron-molecule interactions, it was found that the positron is attracted by both the potential well around the negative end of the dipole moment and the $\pi$ electrons of the C=C double bond. The positron annihilation spectra were simulated using the Feshbach resonance widths, which can be calculated from the couplings between the positron motion and vibrational motion. The importance of $\pi$ electrons in positron binding is discussed in terms of the calculated resonance widths.

中文翻译：

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氯乙烯中的正电子结合：为分子计算建模正电子-电子相关-极化电势

使用一系列六个氯乙烯分子的正电子-电子相关-极化电势模型计算正电子结合能和an没光谱。通过对正电子密度和正电子-分子相互作用的详细分析，发现正电子既被偶极矩负端附近的势阱又吸收了正电子。$\pi$C ＝ C双键的电子。使用Feshbach共振宽度模拟正电子an没光谱，可以通过正电子运动与振动运动之间的耦合来计算。的重要性$\pi$ 根据计算出的共振宽度讨论了正电子结合中的电子。