Positron collisions with acetylene calculated using the R-matrix with pseudo-states method
Positron collisions with acetylene calculated using the R-matrix with pseudo-states method
复制标题
使用 R 矩阵和赝态方法计算正电子与乙炔的碰撞
DOI：
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发表时间：
2011
期刊：
影响因子：
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通讯作者：
J. Tennyson
中科院分区：
文献类型：
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作者：
Rui Zhang;P. G. Galiatsatos;J. Tennyson
计算了正电子与C_2H_2低能碰撞的本征相位和、总截面和微分截面。计算结果表明，使用适当的伪态展开非常显着地提高了这一过程的代表性，给出了现实的本征相位和横截面。微分截面是强烈的前向峰与测量一致。这些计算在计算上要求很高;即使使用改进的矩阵对角化程序，完全收敛的计算对于当前的计算机资源来说也太昂贵了。尽管如此，计算显示了形成虚态的明确证据，但没有迹象表明乙炔实际上在其平衡几何中结合了正电子。
Eigenphase sums, total cross sections and differential cross sections are calculated for low-energy collisions of positrons with C2H2. The calculations demonstrate that the use of appropriate pseudo-state expansions very significantly improves the representation of this process giving both realistic eigenphases and cross sections. Differential cross sections are strongly forward peaked in agreement with the measurements. These calculations are computationally very demanding; even with improved procedures for matrix diagonalization, fully converged calculations are too expensive with current computer resources. Nonetheless, the calculations show clear evidence for the formation of a virtual state but no indication that acetylene actually binds a positron at its equilibrium geometry.