Exchange-Correlation Functionals [Explained for Beginners]
The Kohn-Sham approach in density functional theory (DFT) is a true game-changer in tackling the intricate many-body problems of quantum mechanics. By introducing…
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Tag: Electronic structure
RT-TDDFT Implementation with Gaussian Orbitals [Research Summary]
Introduction Real-time time-dependent density functional theory (RT-TDDFT) [1] is a powerful tool for investigating time-dependent responses and electronic dynamics of molecules and materials.…
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