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- W2090685516 abstract "In a previous paper, we reported a failure of the traditional Hellmann-Feynman theorem (HFT) for degenerate eigenstates. This has generated enormous interest among different groups. In four independent papers by Fernandez, by Balawender, Hola, and March, by Vatsya, and by Alon and Cederbaum, an elegant method to solve the problem was devised. The main idea is that one has to construct and diagonalize the force matrix for the degenerate case, and only the eigenforces are well defined. We believe this is an important extension to HFT. Using our previous example for an energy level of fivefold degeneracy, we find that those eigenforces correctly reflect the symmetry of the molecule." @default.
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- W2090685516 date "2004-04-27" @default.
- W2090685516 modified "2023-10-16" @default.
- W2090685516 title "Extended Hellmann-Feynman theorem for degenerate eigenstates" @default.
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- W2090685516 doi "https://doi.org/10.1103/physrevb.69.167102" @default.
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