Research news on Electronic structure

Electronic structure as a research area focuses on the quantum-mechanical description of electrons in atoms, molecules, solids, and nanostructures, and on how this governs their structural, spectroscopic, and transport properties. It encompasses the development and application of theoretical methods such as density functional theory, wavefunction-based quantum chemistry, many-body perturbation theory, and quantum Monte Carlo to compute energies, charge densities, band structures, and excited states. The field underpins predictive materials design, catalysis, electronic and photonic device engineering, and strongly correlated systems research by linking microscopic electron behavior to macroscopic observables and emergent phenomena.

Molecular orbitals imaged in 3D, opening path to femtosecond videos

One of the most famous and intriguing results of quantum mechanics is the finding that fundamental particles, such as electrons, cannot be pinned down to one single location. Instead, a particle is described by its "wavefunction," ...

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