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自洽场 X_a 多重散射波方法(SCF—X_a—SW)是 J.Slater,K.Johnson 等人近年所发展的量子化学计算方法。此法要点在于对交换积分项采取统计平均近似而简化计算。对此方法及其应用唐敖庆、杨忠志曾予评述。由于此法及相应计算机程序尚在发展过程中,故国外鲜见程序公开,国内亦未见研究工作发表。
The self-consistent field X_a multiple scattering wave method (SCF-X_a-SW) is a quantum chemical calculation method developed by J.Slater, K. Johnson and others in recent years. The point of this method is to simplify the calculation by taking a statistical average approximation of the exchange points. To this method and its application Tang Aoqing, Yang Zhongzhi has been commented. As this law and the corresponding computer programs are still in the process of development, there are few open procedures abroad and no research published in the country.