Liu Wei, Liu Zhijie, Li Jungqing, Xin Houwen. Multiple Scattering Method Study on Overlapping of Atomic Sphere[J]. Chinese Journal of Chemical Physics , 1990, 3(2): 94-99.
Citation:
Liu Wei, Liu Zhijie, Li Jungqing, Xin Houwen. Multiple Scattering Method Study on Overlapping of Atomic Sphere[J]. Chinese Journal of Chemical Physics , 1990, 3(2): 94-99.
Liu Wei, Liu Zhijie, Li Jungqing, Xin Houwen. Multiple Scattering Method Study on Overlapping of Atomic Sphere[J]. Chinese Journal of Chemical Physics , 1990, 3(2): 94-99.
Citation:
Liu Wei, Liu Zhijie, Li Jungqing, Xin Houwen. Multiple Scattering Method Study on Overlapping of Atomic Sphere[J]. Chinese Journal of Chemical Physics , 1990, 3(2): 94-99.
Multiple Scattering Method Study on Overlapping of Atomic Sphere
Multiple scattering Xα calculations with different overlapping sphere radii are carried out for C6H6, CH4, GeH4, Fe6 and Fe6N. The effects of overlapping of atomic spheres on Xα calculations and criterions of choosing overlapping sphere radii have been discussid. In this work some useful results as well as the optimized radii of atomic sphere of above moleculues and clusters are concluded and reported.
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