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Recently Schautz and Flad concluded that the Hellmann-Feynman theorem holds within the fixed-node diffusion quantum Monte Carlo (DMC) method. We show that the Hellmann-Feynman expression is not in general equal to the derivative of the DMC energy with respect to some parameter if the nodal surface depends on .

生成讲解博客的中文版本

生成AI智能校验的中文版本