Related papers: Correlation energy, pair-distribution functions an…
The correlation energies of the helium isoelectronic sequence and of Hooke's atom isoelectronic sequence have been evaluated using an assortment of local, gradient and meta-gradient density functionals. The results are compared with the…
We study the formation of spontaneous spin polarization in inhomogeneous electron systems with pair interaction localized in a small region that is not separated by a barrier from surrounding gas of non-interacting electrons. Such a system…
We present the explicit expressions for the (regularized) terms in the large-epsilon asymptotic series of in particular the self-energy operator pertaining to arbitrary systems of interacting spin-s fermions in d spatial dimensions and…
The induced surface charges appear to diverge when dielectric particles form close contacts. Resolving this singularity numerically is prohibitively expensive because high spatial resolution is needed. We show that the strength of this…
We consider the high-density-limit correlation energy $\Ec$ in $D \ge 2$ dimensions for the $^1S$ ground states of three two-electron systems: helium (in which the electrons move in a Coulombic field), spherium (in which they move on the…
In this paper, we study the spin and energy dynamic correlations of the one dimensional spin 1/2 Heisenberg model, using mostly exact diagonalization numerical techniques. In particular, observing that the uniform spin and energy currents…
We present new trial wave-functions which include 3-body correlations into the backflow coordinates and a 4-body symmetric potential. We show that our wavefunctions lower the energy enough to stabilize the ground state energies of normal…
Precise calculations of dynamics in the homogeneous electron gas (jellium model) are of fundamental importance for design and characterization of new materials. We introduce a diagrammatic Monte Carlo technique based on algorithmic…
New ways to treat electron correlation in electronic structure problems are discussed in the context of many-electron theory. The present work focuses primarily on static correlation. In related work, a method for including dynamical…
Isolating the singularity in the Green's function solution of the inhomogeneous, differential equation for the Stermheimer function of a layered electron gas, permits the construction of an approximate solution of the Stermheimer function…
It is shown that the electron density functional correlation functional satisfies an equation that links the N-electron and (N-1)-electron densities of the same adiabatically scaled Hamiltonian of the interacting electron system.
We study bond energy correlation functions in an exactly solvable quantum spin model of Kitaev type on the kagome lattice with stable Fermi surface of partons proposed recently by Chua et al, Ref.\[arXiv:1010.1035]. Even though any spin…
We reduce the computation of three point function of three spinning operators with arbitrary polarizations to a statistical mechanics problem via the hexagon formalism. The central building block of these correlation functions is the…
Recent progress in the formulation of a fully dynamical local approximation to time-dependent Density Functional Theory appeals to the longitudinal and transverse components of the exchange and correlation kernel in the linear…
Quantum Monte Carlo simulations of interacting electrons in solids often use Slater-Jastrow trial wave functions. The Jastrow function takes into account correlations between pairs of electrons. In simulations of solids, it is common to use…
We construct and study several semilocal density functional approximations for the positive Kohn-Sham kinetic energy density. These functionals fit the kinetic energy density of the Airy gas and they can be accurate for integrated kinetic…
The quantum mechanical problem of three identical particles, moving in a plane and interacting pairwise via a spring potential, is solved exactly in the presence of a magnetic field. Calculations of the pair--correlation function, mean…
We present a novel approach for a systematic large--spin expansion of the $t$-$J$ Hamiltonian which enables us to work without the constraint of no double occupancy. In our scheme we can perform the large--spin limit ensuring that the low…
Accurately describing strong electron correlation in complex systems remains a prominent challenge in computational chemistry as near-term quantum algorithms treating total correlation often require prohibitively deep circuits. Here we…
We discuss alternative homogeneous electron gas systems in which a finite number $n$ of electrons are confined to a $D$-dimensional sphere. We derive the first few terms of the high-density ($r_s\to0$, where $r_s$ is the Seitz radius)…