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在单电子Hartree-Fock近似的基础上,采用扩展离子处理方法(SLC),计算了晶格畸变对KCl中F_H(CN)~-的基态能量及F心电子能量的影响。
Based on the one-electron Hartree-Fock approximation, the effect of lattice distortion on the ground-state energy and the F-electron energy of F_H (CN) ~ - in KCl was calculated by the extended ion treatment (SLC)