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讨论了使用高斯型轨道的线性组合(CGTO),而不是单个高斯型轨道(GTO),作为大规模分子计算的基函数单位。尝试对CGTO基函数进行系统构建,并报告对锂到氩的原子的结果。
Huzinaga 等人 (1969) 研究了这个问题。
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