计算物理 ›› 1989, Vol. 6 ›› Issue (4): 465-476.
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唐景昌1, 沈俊锋1, 冯小松1, 冯克安2
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Tang Jingchang1, Shen Junfeng1, Feng Xiaosong1, Feng Kean2
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摘要： 作者将光电子衍射动力学理论推广到原子集团问题,发展了无序系统的多重散射集团目的(MSC),应用这个目的研究了固溶体KxNa1-xCl的结构,发现混合微晶模型计算结果与实验非常符合。对MSC目的考察表明它特别适合于小分子在金属表面的吸附结构研究。
Abstract: The multiple-scattering cluster method(MSC) for disorder system has been formulated based on dynamic theory of photoelectron diffraction.We have studied the structure of solid solution KxNa(1-x)C1,and found that the calculation results of mixed micro-crystal model is agreement with experiment excellently.It is shown that MSC method is suitable, especially,for structure studies of small molecule adsorbate-metal substrate system.
唐景昌, 沈俊锋, 冯小松, 冯克安. 近边x射线吸收精细结构的多次散射集团目的[J]. 计算物理, 1989, 6(4): 465-476.
Tang Jingchang, Shen Junfeng, Feng Xiaosong, Feng Kean. MULTIPLE-SCATTERING CLUSTER METHOD FOR NEAR EDGE X-RAY ABSORPTION FINE STRUCTURE[J]. CHINESE JOURNAL OF COMPUTATIONAL PHYSICS, 1989, 6(4): 465-476.
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