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