| Monte-Carlo拟合算法及其在电子动量谱学实验数据处理中应用的研究 |
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| 引用本文： | 张哲,Kyle Obergfell,韩先明,陈向军.Monte-Carlo拟合算法及其在电子动量谱学实验数据处理中应用的研究[J].物理学报,2010,59(3):1695-1701. |
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| 作者姓名： | 张哲 Kyle Obergfell 韩先明 陈向军 |
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| 作者单位： | (1)Department of Physics & Astronomy,Butler University,Indianapolis,IN 46208,USA; (2)合肥微尺度物质科学国家实验室,中国科学技术大学近代物理系，合肥 230026 |
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| 基金项目： | 国家自然科学基金（批准号：10734040），中国科学院知识创新重要方向性项目（批准号：KJCX1-YW-N31）资助的课题. |
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| 摘 要： | 介绍了一种新的Monte-Carlo曲线拟合算法,由于新算法具有比其他迭代算法拟合更加稳定的优势,解决了电子动量谱学实验数据处理中遇到的电离能谱能峰叠加引起的拟合效果不佳的问题.利用VB语言编写的基于以上方法的拟合程序处理CF2Br2分子的动量谱学实验数据,与基于Levenberg-Marquardt算法的PeakFit软件处理的结果进行比较,结果明显优于后者,并由此明确的重新指认了之前动量谱学方法无法指认的CF2Br2分子的价壳层最外四个轨道4b2,2a2,4b1和6a1的排序,肯定了Hartree-Fock和外价壳层格林函数方法(OVGF)的理论计算结果,而修正了光电子谱学实验的指认.
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| 关 键 词： | 电子动量谱 Monte-Carlo方法 CF2Br2 轨道排序 |
| 收稿时间： | 2009-04-23 |
| 修稿时间： | 6/4/2009 12:00:00 AM |
Monte-Carlo fitting and its application in electron momentum spectroscopy data processing |
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| Zhang Zhe,Kyle Obergfell,Xianming L.Han,Chen Xiang-Jun.Monte-Carlo fitting and its application in electron momentum spectroscopy data processing[J].Acta Physica Sinica,2010,59(3):1695-1701. |
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| Authors: | Zhang Zhe Kyle Obergfell Xianming LHan Chen Xiang-Jun |
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| Abstract: | A new Monte-Carlo (M-C) curve fitting algorithm which is more stable than other iterative fitting algorithms is presented, and it is used to improve the unsatisfactory fitting results of the data of electron momentum spectroscopy(EMS) experiment due to the serious overlap of adjacent peaks of orbital energy resulting from the poor energy resolution. The VB program of this method has been compiled. The results of EMS data of CF_2Br_2 using the M-C program is compared with the one using PeakFit software, whic... |
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| Keywords: | electron momentum spectroscopy Monte-Carlo method dibromodifluoromethane orbitals ordering |
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