electronic correlation

It is now one of the most prevalent methods in quantum chemistry that includes electronic correlation.

Electronic correlation is the interaction between electrons in the electronic structure of a quantum system.

Theoretical models of the electronic structure of strongly correlated materials must include electronic correlation to be accurate.

For sure such a phase diagram wouldn't only depend on temperature and pressure (i.e. bandwidth) but also on electronic correlations.

In chemical systems, slightly more sophisticated versions of this factor can obtain 80-90% of the correlation energy (see electronic correlation) with less than 30 parameters.

Many types of calculations begin with a Hartree-Fock calculation and subsequently correct for electron-electron repulsion, referred to also as electronic correlation.

He also invented the unitary group approach, which is an efficient way of computing Hamiltonian matrix elements over spin eigenstates that appear in electronic correlation problems.

One of DMFT's main successes is to describe the phase transition between a metal and a Mott insulator when the strength of electronic correlations is increased.

In order to obtain reliable results one must include electronic correlation in the supermolecule method (without it dispersion is not accounted for at all), and take care of the 'basis set superposition error'.

A fully developed theory of C solids superconductivity is still lacking, but it has been widely accepted that strong electronic correlations and the Jahn-Teller electron-phonon coupling produce local electron-pairings that show a high transition temperature close to the insulator-metal transition.

The basic methodology is density functional theory (DFT), but the code also allows use of post-DFT corrections such as hybrid functionals mixing DFT and Hartree-Fock exchange, many-body perturbation theory (the GW method) and dynamical electronic correlations within the random phase approximation.