相关论文: The on-top pair-correlation density in the homogen…
The combination of density functional theory with other approaches to the many-electron problem through the separation of the electron-electron interaction into a short-range and a long-range contribution is a promising method, which is…
We present a self-consistent analytic theory of the intra-layer and inter-layer pair correlation functions in electron-electron and electron-hole fluid bilayer systems. Our approach involves the solution of a zero-energy scattering…
As shown by Overhauser and others, accurate pair densities for the uniform electron gas may be found by solving a two-electron scattering problem with an effective screened electron-electron repulsion. In this work we explore the extension…
We deal with a model for high-temperature superconductivity which maintains that in cuprates electrons running in the copper oxide layers, found in lattice of these materials, form spin-singlet bonds with electrons running in the…
The on-top pair density [$\Pi(\mathrm{\mathbf{r}})$] is a local quantum-chemical property that reflects the probability of two electrons of any spin to occupy the same position in space. Being the simplest quantity related to the…
Ground-state properties of a two-dimensional fluid of bosons with repulsive dipole-dipole interactions are studied by means of the Euler-Lagrange hypernetted-chain approximation. We present a self-consistent semi-analytical theory of the…
We deal with a model for high-temperature superconductivity which maintains that in cuprates spin-singlet bonds are formed between electrons running in the neighbouring layers of copper oxide found in lattice of these materials. This model…
The value of the pair distribution function g(r) at contact (r = 0) in a quantum electron gas is determined by the scattering events between pairs of electrons with antiparallel spins. The theoretical results for g(0) as a function of the…
A simple optimization scheme is used to compute the density-density response function of an electron liquid. Higher order terms in the perturbation expansion beyond the random phase approximation are summed approximately by enforcing the…
Previously, it has been shown that the direct correlation function for a Lennard-Jones fluid could be modeled by a sum of that for hard-spheres, a mean-field tail and a simple linear correction in the core region constructed so as to…
We use a density functional theoretical approach to calculate the pair distribution function and the effective interactions in homogeneous fluids of spinless charged bosons. The scheme involves the self-consistent solution of a two-particle…
Let $\Gamma< \mathrm{PSL}_2(\mathbb{R})$ be a lattice and $\omega\in \mathbb{H}$ a point in the upper half plane. We prove the existence and give an explicit formula for the pair correlation density function for the set of angles between…
We use a mapping of the quasi-2D electron liquid to a classical fluid and use the hypernetted-chain equation inclusive of bridge corrections, i.e., CHNC, to calculate the electron pair-distribution functions and exchange-correlation…
We propose a lattice density-functional theory for {\it ab initio} quantum chemistry or physics as a route to an efficient approach that approximates the full configuration interaction energy and orbital occupations for molecules with…
We study the molecular correlations in a lattice model of a solution of a low-solubility solute, with emphasis on how the thermodynamics is reflected in the correlation functions. The model is treated in Bethe-Guggenheim approximation,…
We present a theory of the pair distribution function $g(z)$ and many-body effective electron-electron interaction for one dimensional (1D) electron liquid. Our approach involves the solution of a zero-energy scattering Schr\"odinger…
We present a new model describing strongly correlated electrons on a general $d$-dimensional lattice. It differs from the Hubbard model by interactions of nearest neighbours, and it contains the $t$-$J$ model as a special case. The model…
Luttinger liquid theory accounts for the low energy boson excitations of one-dimensional quantum liquids, but disregards the high energy excitations. The most important high energy excitations are holes which have infinite lifetime at zero…
The correlation energy of the homogeneous electron gas is evaluated by solving the Bethe-Salpeter equation (BSE) beyond the Tamm-Dancoff approximation for the electronic polarisation propagator. The BSE is expected to improve upon the…
Supercooled liquids exhibit spatial heterogeneity in the dynamics of their fluctuating atomic arrangements. The length and time scales of the heterogeneous dynamics are central to the glass transition and influence nucleation and growth of…