Category archives: Quantum physics

How to extract the interacting spectral function from a ground state DFT calculation

How to extract the interacting spectral function from a ground state DFT calculation

Condensed matterNanotechnologyPhysicsQuantum physicsTheoretical physics

By DIPC

The electronic wave function of an n-electron molecule depends on 3n spatial and n spin coordinates. In a sense, the wave function of a many-electron molecule contains more information than is needed and is lacking in direct physical significance. This has prompted the search for methods that involve fewer variables than the wave function and […]

Temperature dependence of rare earth valence has nothing to do with Kondo temperature

Temperature dependence of rare earth valence has nothing to do with Kondo temperature

ChemistryCondensed matterQuantum physics

By DIPC

The scattering of conduction electrons in metals owing to impurities with magnetic moments is known as the Kondo effect, after Jun Kondo, who analysed the phenomenon in 1964. This scattering increases the electrical resistance and has the consequence that, in contrast to ordinary metals, the resistance reaches a minimum as the temperature is lowered and […]

What bounds a molecular solid together?

What bounds a molecular solid together?

ChemistryCondensed matterMaterialsQuantum physics

By DIPC

We usually think of crystals as composed of different atoms in certain proportions, this proportion being the molecular fórmula that represents the crystal. However, it is not surprising that any molecule could be the basis of a crystal structure, whether a simple molecule such as methane, or a complicated molecule such as a protein or […]

Our current image of atoms

Our current image of atoms

PhysicsQuantum physics

By DIPC

The wave–particle dualism is a fundamental aspect of quantum mechanics. But, in order to explore this dualism properly and what it means for our image of atoms, it is necessary to review some ideas of probability. In some situations, no single event can be predicted with certainty. But it may still be possible to predict […]

Submolecular resolution using inelastic electron tunnelling spectroscopy at 5 K

Submolecular resolution using inelastic electron tunnelling spectroscopy at 5 K

Condensed matterNanotechnologyQuantum physics

By DIPC

What only a decades ago seemed impossible for chemists, determining the chemical structure of molecules directly from experimental images, is now routinely done. Not only that, the information about bond order, intermediates, and products of on-surface chemical reactions or charge distribution within molecules can also be quantified from those images. Two main techniques have made […]

Accurate simulation of aqueous-based electrochemical setups

Accurate simulation of aqueous-based electrochemical setups

ChemistryCondensed matterEnergyMaterialsPhysicsQuantum physics

By DIPC

Following the need for new and renewable sources of energy worldwide, fuel cells using electrocatalysts can be thought of as viable options. Catalyst materials modify and increase the rate of chemical reactions without itself undergoing any permanent change. An electrocatalyst is a catalyst that participates in electrochemical reactions and that functions at electrode surfaces or […]