Density matrix functional theory (DMFT) offers a one-particle perspective on quantum many-body systems by replacing the full wavefunction description with the one-particle reduced density matrix ...
Scientists use quantum many-body data and machine learning to boost density functional theory accuracy for chemistry and materials science. (Nanowerk News) A new trick for modeling molecules with ...
My group started working on hybrid DFT three years ago when we began our collaboration with the Park group, with whom we were trying to understand the properties of conducting metal-organic frameworks ...
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