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多组态自洽场
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多组态自洽场
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理学
计算与理论化学
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multi-configurational self-consistent field
多组态自洽场
使用组态函数(configuration state functions; CSF)或组态行列式的线性组合来近似得到原子或分子体系准确波函数的方法。是量子化学的方法之一。
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