改进的光滑外部标度方法在研究πN和πCO形状共振中的应用。
Application of Modified Smooth Exterior Scaling Method to Study Π N and Π CO Shape Resonances.
作者信息
Banuary Mwdansar, Gupta Ashish Kumar
机构信息
Department of Chemistry, Indian Institute of Technology, Guwahati 781039, Assam, India.
出版信息
ACS Omega. 2023 Feb 9;8(7):7143-7150. doi: 10.1021/acsomega.3c00033. eCollection 2023 Feb 21.
The modified smooth exterior scaling (MSES) method is applied for the first time to calculate the energy and the width of the electron-molecule scattering. The isoelectronic Π N and Π CO shape resonances have been studied as a test case for the MSES method. The results obtained using this method are in good agreement with experimental results. The conventional smooth exterior scaling (SES) method with different paths has also been applied for comparison purposes.
改进的光滑外部标度（MSES）方法首次被应用于计算电子 - 分子散射的能量和宽度。等电子的Π N和Π CO形状共振作为MSES方法的一个测试案例进行了研究。使用该方法获得的结果与实验结果吻合良好。为作比较，还应用了具有不同路径的传统光滑外部标度（SES）方法。
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