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Which of the following statements about density functional theory is not correct?


A、B3LYP is a hybrid functional.;

B、TD-DFT can be used to calculate the properties of excited states.;

C、One can get a DFT molecular wavefunction from DFT calculation.;

D、For nondegenerate ground state, the wavefunction and all other molecular properties are uniquely determined by the ground-state electron probability density.

发布时间:2025-02-21 15:11:54
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答案:One can get a DFT molecular wavefunction from DFT calculation.
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