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霍亨伯格-科恩定理
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霍亨伯格-科恩定理
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理学
计算与理论化学
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Hohenberg-Kohn theorem
霍亨伯格-科恩定理
包含两个霍亨伯格-科恩定理。霍亨伯格-科恩第一定理为:不计自旋的全同费米子系统的基态能量是粒子密度函数的唯一泛函;霍亨伯格-科恩第二定理为:能量泛函在粒子数不变条件下对正确的粒子密度函数取极小值,并等于基态能量。是现代密度泛函的理论基石。
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