Related papers: Long-range correlation energy calculated from coup…
We have performed {\it ab initio} calculations for a series of energetic solids to explore their structural and electronic properties. To evaluate the ground state volume of these molecular solids, different dispersion correction methods…
We investigate the adiabatic approximation to the exact-exchange kernel for calculating correlation energies within the adiabatic-connection fluctuation-dissipation framework of time-dependent density functional theory. A numerical study is…
We present the computation of energy-energy correlation in $e^+e^-$ collisions in the back-to-back region at next-to-next-to-leading logarithmic accuracy matched with the next-to-next-to-leading order perturbative prediction. We study the…
We obtain explicit expressions for the long range correlations in the ABC model and in diffusive models conditioned to produce an atypical current of particles.In both cases, the two-point correlation functions allow to detect the…
Interacting defect systems are ubiquitous in materials under realistic scenarios, yet gaining an atomic-level understanding of these systems from a computational perspective is challenging - it often demands substantial resources due to the…
The Coulomb exchange and correlation energy density functionals for electron systems are applied to nuclear systems. It is found that the exchange functionals in the generalized gradient approximation provide agreements with the exact-Fock…
The influence of dispersion on the differential scattering cross section in the vicinity of the first diffraction minimum is revisited for collision energies between 200 and 450 MeV. Transient nuclear excitations in the giant resonance…
An alternative separation of short-range exchange and correlation energies is used in the framework of second-order range-separated density-functional perturbation theory. This alternative separation was initially proposed by Toulouse et…
Electron density is a fundamental quantity, which can in principle determine all ground state electronic properties of a given system. Although machine learning (ML) models for electron density based on either an atom-centered basis or a…
The screened electron-electron interaction in a multi-band electron system is calculated within the random phase approximation and in the tight-binding representation. The obtained dielectric matrix contains, beside the usual site-site…
Correlation-driven phenomena in molecular periodic systems are challenging to predict computationally not only because such systems are periodically infinite but also because they are typically strongly correlated. Here we generalize the…
Interpolating the exchange-correlation energy along the density-fixed adiabatic connection of density functional theory is a promising way to build approximations that are not biased towards the weakly correlated regime. These…
With the eigenfunctional theory, we study a general interacting electron system, and give a rigorous expression of its ground state energy which is composed of two parts, one part is contributed by the non-interacting electrons, and another…
Short-range potential has been added into an extended quantum molecular dynamics (EQMD) model. The RMS radius, binding energy and momentum distribution of $^{12}$C with different initial structures and short-range potential parameters have…
The long-range correlation energies and the off-diagonal interactions are studied and a general formula for correlation energy $E_c$ of the $\pi$ electron systems is given, which is beyond the nearest-neighbor electron-electron interactions…
One of the ultimate goals of nuclear collision experiments at high energy is to map the phase diagram of strongly interacting matter. A very challenging task is the determination of the QCD phase structure including the search for critical…
Controlling the spread of correlations in quantum many-body systems is a key challenge at the heart of quantum science and technology. Correlations are usually destroyed by dissipation arising from coupling between a system and its…
To address the impact of electron correlations in the linear and non-linear response regimes of interacting many-electron systems exposed to time-dependent external fields, we study one-dimensional (1D) systems where the interacting problem…
The electronic and magnetic properties of many strongly-correlated systems are controlled by a limited number of states, located near the Fermi level and well isolated from the rest of the spectrum. This opens a formal way for combining the…
Within a nonperturbative dynamical two-body approach - based on coupled equations of motion for the one-body density matrix and the two-body correlation function - we study the distribution of occupation numbers in a correlated system close…