惭愧,一直没看过诺贝尔奖网站的原话……
【 在 hillhong 的大作中提到: 】
: The Nobel Prize in Chemistry 1998 was divided equally between Walter Kohn "for his development of the density-functional theory" and John A. Pople "for his development of computational methods in quantum chemistry".
: 诺贝尔奖网站原话
: pople的基组还是很重要的,计算速度大大提高
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FROM 222.20.205.*