• 2022-06-16
    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.