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What is the energy difference between the ground state and the first excited state of a molecule of benzene, calculated using time-dependent density functional theory (TD-DFT)?

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As a language model AI, I am unable to perform actual calculations or simulations. However, I can guide you on how to calculate the energy difference between the ground state and the first excited state of a molecule of benzene using time-dependent density functional theory  TD-DFT .To calculate the energy difference, you will need to perform the following steps:1. Choose a suitable DFT functional and basis set: Select a functional  e.g., B3LYP, PBE, etc.  and a basis set  e.g., 6-31G, cc-pVDZ, etc.  that are appropriate for your system and the level of accuracy you require.2. Perform a ground state calculation: Optimize the geometry of the benzene molecule and calculate its ground state energy using the chosen functional and basis set.3. Perform a TD-DFT calculation: Calculate the excited state energies and transition probabilities using the optimized ground state geometry. This will provide you with a list of excited states and their corresponding energies.4. Determine the energy difference: Identify the first excited state  usually the one with the lowest energy above the ground state  and calculate the energy difference between the ground state and the first excited state.Keep in mind that the accuracy of the energy difference will depend on the chosen functional and basis set, as well as the quality of the software package used for the calculations.
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