Recent content by BAAL144

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    What is the difference between DFT and TD-DFT in Gaussian 09 software?

    In Gaussian 09: DFT (Density Functional Theory) is used to calculate the ground-state properties of a molecule. It gives information such as: Optimized geometry Total energy HOMO–LUMO energies Vibrational frequencies Charge distribution TDDFT (Time-Dependent Density Functional Theory) is used...