Related papers: A correction method for the pair density to get cl…
Parity violating electron nucleus scattering is a clean and powerful tool for measuring the spatial distributions of neutrons in nuclei with unprecedented accuracy. Parity violation arises from the interference of electromagnetic and weak…
We introduce a hybrid high-order method for approximating the ground state of the nonlinear Gross--Pitaevskii eigenvalue problem. Optimal convergence rates are proved for the ground state approximation, as well as for the associated…
We present here a formulation of the electronic ground-state energy in terms of the second order reduced density matrix, using a duality argument. It is shown that the computation of the ground-state energy reduces to the search of the…
The phenomenological adjustment of the nuclear pairing strength is usually performed with respect to the odd-even staggering of the binding energies. We find that the results strongly depend on the way in which the ground states of the odd…
Low-scaling electron correlation theory based on the pair natural orbital approximation, PNO-CCSD(T), has become a powerful computational tool. Motivated by the recent discovery of large errors for organometallic molecules, we assess the…
Electron pairing in one-dimensional binary Hubbard chains is studied for different values of the band-filling using the Density Matrix Renormalization Group method. The systems consist of linear arrays of sites with two types of on-site…
The Pade approximant technique and the variational Monte Carlo method are applied to determine the ground-state energy of a finite number of charged bosons in two dimensions confined by a parabolic trap. The particles interact repulsively…
Based on a parametric point-wise decomposition, a kind of isospectral deformation, of the exact one-particle probability density of an externally confined, analytically solvable interacting two-particle model system we introduce the…
A general procedure for the optimization of atomic density-fitting basis functions is designed with the balance between accuracy and numerical stability in mind. Given one-electron wavefunctions and energies, weights are assigned to the…
Approximate density functional theory (DFT) suffers from many-electron self- interaction error, otherwise known as delocalization error, that may be diagnosed and then corrected through elimination of the deviation from exact piecewise…
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 present the first application to real molecular systems of the recently proposed linear-response theory for the density-based basis-set correction method [J. Chem. Phys. 158, 234107 (2023)]. We apply this approach to accelerate the…
The random phase approximation (RPA) is exact for the exchange energy of a many-electron ground state, but RPA makes the correlation energy too negative by about 0.5 eV/electron. That large short-range error, which tends to cancel out of…
The matrix element of a bound electron interacting with the nucleus through exchange of a Z boson is studied for the gauge invariant case of $2s_{1/2}-2p_{1/2}$ transitions in hydrogenic ions. The QED radiative correction to the matrix…
The effect of vacuum polarization on the parity violating asymmetry in the elastic electron-nucleus scattering is considered. Calculations are performed in the high-energy approximation with an exact account for the electric field of the…
The phenomenological formula for ground state binding energy derived earlier (International Journal of Modern Physics E {\bf 20} (2011) 179) has been modified. The parameters have been obtained by fitting the latest available tabulation of…
In this paper, we revisit the backward Euler method for numerical approximations of random periodic solutions of semilinear SDEs with additive noise. Improved $L^{p}$-estimates of the random periodic solutions of the considered SDEs are…
The Parity-Doublet Model (PDM) is a chirally invariant effective theory for strong-interaction matter involving nucleons and their opposite-parity partners in a parity-doubling framework. We introduce a multiplicatively renormalizable…
A diagrammatic method is applied to study the effects of commensurability in two-dimensional disordered crystalline metals by using the particle-hole symmetry with respect to the nesting vector P_0={\pm{\pi}/a, {\pi}/a} for a half-filled…
Similar to other electron correlation methods, many-body perturbation theory methods based on Green functions, such as the so-called $GW$ approximation, suffer from the usual slow convergence of energetic properties with respect to the size…