• 2022-06-16 问题

    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.

    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.

  • 2022-06-07 问题

    A particle is described by the wavefunction [img=125x28]180380acf324ab6.png[/img] . The probability of finding it anywhere on the positive x axis (i.e., on the interval 0<x<∞) is equal to A: [img=9x43]180380acfada5ef.png[/img] B: [img=25x47]180380ad0313e37.png[/img] C: [img=9x43]180380ad0b681d3.png[/img] D: it depends on the value of [img=11x19]180380ad142db4c.png[/img]

    A particle is described by the wavefunction [img=125x28]180380acf324ab6.png[/img] . The probability of finding it anywhere on the positive x axis (i.e., on the interval 0<x<∞) is equal to A: [img=9x43]180380acfada5ef.png[/img] B: [img=25x47]180380ad0313e37.png[/img] C: [img=9x43]180380ad0b681d3.png[/img] D: it depends on the value of [img=11x19]180380ad142db4c.png[/img]

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