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The excitation energies of the molecule can be computed with the Hartree-Fock (TDHF) method.
First, we define the molecule's geometry with the MolecularGeometry command
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Second, we plot uracil with the PlotMolecule command
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Finally, we compute the excitation energies
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By double clicking the output matrix above, the result can be viewed in a Matrix Browser with options to export the data.
The excitation energies can also be displayed in a fancy table by setting the optional keyword showtable to true
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Energy
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The number of states computed can be controlled with the keyword nstates; i.e., nstates=1 computes 1 singlet and 1 triplet state
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State
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Energy
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