Related papers: Explicitly correlated plane waves: Accelerating co…
Methods for estimating the correlation energy of molecules and other electronic systems are discussed based on the assumption that the correlation energy can be partitioned between atomic regions. In one method, the electron density is…
Dielectric lined waveguides are under extensive study as accelerating structures that can be excited by electron beams. Rectangular dielectric structures are used both in proof of principle experiments for new accelerating schemes and for…
We derive exact strong-contrast expansions for the effective dielectric tensor $\epeff$ of electromagnetic waves propagating in a two-phase composite random medium with isotropic components explicitly in terms of certain integrals over the…
Mesoscopic correlations are observed in the polarization of microwave radiation transmitted through a random waveguide. These measurements, supported by diagrammatic theory, permit the unambiguous identification of short, long, and infinite…
We present an implementation and analysis of a stochastic high performance algorithm to calculate the correlation energy of three dimensional periodic systems in second-order M{\o}ller-Plesset perturbation theory (MP2). In particular we…
We give a detailed description of a recently proposed first principles approach to the electronic structure of strongly correlated materials. The method combines the GW approximation with dynamical mean field theory. It is designed to…
It has recently been proven that certain effective wavefunctions in fractional quantum mechanics and condensed matter do not have a locally conserved current; as a consequence, their coupling to the electromagnetic field leads to extended…
We introduce a new paradigm for finite and infinite strict-one-dimensional uniform electron gases. In this model, $n$ electrons are confined to a ring and interact via a bare Coulomb operator. In the high-density limit (small-$r_s$, where…
Classical Coulomb systems at equilibrium, bounded by a plane dielectric wall, are studied. A general two-point charge correlation function is considered. Valid for any fixed position of one of the points, a new relation is found between the…
While there have been many developments in computational probes of both strongly-correlated molecular systems and machine-learning accelerated molecular dynamics, there remains a significant gap in capabilities in simulating accurate…
The main goal of this paper is to assess the limits of validity, in the regime of low concentration and strong Coulomb coupling (high molecular charges), for a simple perturbative approximation to the radial distribution functions (RDF),…
With a transcorrelated Hamiltonian, we perform a many body perturbation (MBPT) calculation on the uniform electron gas in the high density regime. By using a correlation factor optimised for a single determinant Jastrow ansatz, the second…
We investigated kinetic properties of correlated pairing states in strongly correlated phase of the Hubbard model in two space dimensions. We employ an optimization variational Monte Carlo method, where we use the improved wave function…
A new wavefunction which improves the Gutzwiller-type local ansatz method has been proposed to describe the correlated electron system. The ground-state energy, double occupation number, momentum distribution function, and quasiparticle…
The two-site single-polaron problem is studied within the perturbative expansions using different standard phonon basis obtained through the Lang Firsov (LF), modified LF (MLF) and modified LF transformation with squeezed phonon states…
We investigate the interfacial phase behavior of a binary fluid mixture composed of repulsive point Yukawa particles. Using a simple approximation for the Helmholtz free energy functional, which yields the random phase approximation (RPA)…
The performance of correlated optimized effective potential (OEP) functionals based on the spin-resolved second-order correlation energy is analyzed. The relative importance of singly- and doubly- excited contributions as well as the effect…
A systematic method for determining correlated wavefunctions of extended systems in the ground and excited states is presented. It allows to fully exploit the power of quantum-chemical programs designed for correlation calculations of…
The behavior of electronic states of one dimensional correlated disordered systems which are modelled by a tight binding Hamiltonian is studied analytically using the invariant measure method. The approach of Bovier is generalized to…
Using Ewald's summation method we investigate collective electronic excitations (excitons) of ultracold atoms in parallel planar optical lattices including long range interactions. The exciton dispersion relation can then be suitably…