Related papers: The Electronic Ground State Energy Problem: a New …
Analytic approximations to the ground-state energy of closed-shell quantum dots (number of electrons from 2 to 210) are presented in the form of two-point Pade approximants. These Pade approximants are constructed from the small- and…
Quantum algorithms for estimating the ground state energy of a quantum system often operate by preparing a classically accessible quantum state and then applying quantum phase estimation. Whether this approach yields quantum advantage…
We consider a dilute atomic Bose-Einstein condensate with two non-degenerate internal energy levels. The presence of an external radiation field can result in new ground states for the condensate which result from the lowering of the…
Here we present a many-body theory based on a solution of the $N$-representability problem in which the ground-state two-particle reduced density matrix (2-RDM) is determined directly without the many-particle wave function. We derive an…
We study the use of von Neumann entropy constraints for obtaining lower bounds on the ground energy of quantum many-body systems. Known methods for obtaining certificates on the ground energy typically use consistency of local observables…
In this paper, we study a conjugate gradient method for electronic structure calculations. We propose a Hessian based step size strategy, which together with three orthogonality approaches yields three algorithms for computing the ground…
We present exact explicit analytical results describing the exact ground state of four electrons in a two dimensional square Hubbard cluster containing 16 sites taken with periodic boundary conditions. The presented procedure, which works…
Recent developments in the physics of low density trapped gases make it worthwhile to verify old, well known results that, while plausible, were based on perturbation theory and assumptions about pseudopotentials. We use and extend recently…
Recent developments in the physics of low density trapped gases make it worthwhile to verify old, well known results that, while plausible, were based on perturbation theory and assumptions about pseudopotentials. We use and extend recently…
We establish an asymptotic formula for the ground-state energy of the spherical pure $(p,q)$-spin glass model for $p,q\ge 97$. We achieve this through understanding the concentration of the complexity of critical points with values within a…
We consider the ground state of a trapped Bose-Einstein condensate in two dimensions. In the mean-field approximation, the ground state density profile satisfies the Gross-Pitaevskii equation. We compute the leading quantum corrections to…
Under certain simplifying conditions we detect monotonicity properties of the ground-state energy and the canonical-equilibrium density matrix of a spinless charged particle in the Euclidean plane subject to a perpendicular, possibly…
A linear algebraic method named the shifted conjugate-orthogonal-conjugate-gradient method is introduced for large-scale electronic structure calculation. The method gives an iterative solver algorithm of the Green's function and the…
The study of entanglement in strongly correlated electron systems typically requires knowledge of the reduced density matrix. Here, we apply the parquet dynamical vertex approximation to study the two-site reduced density matrix at varying…
Computing many-body ground state energies and resolving electronic structure calculations are fundamental problems for fields such as quantum chemistry or condensed matter. Several quantum computing algorithms that address these problems…
We calculate the ground state energies of a system of two dipolar fermions trapped in a harmonic oscillator potential. The dipoles are assumed to be aligned parallel to each other. We perform the calculations of ground state energy as a…
We extend density matrix embedding theory to periodic systems, resulting in an electronic band structure method for solid-state materials. The electron correlation can be captured by means of a local impurity model using various choices of…
State-specific approximations can provide an accurate representation of challenging electronic excitations by enabling relaxation of the electron density. While state-specific wave functions are known to be local minima or saddle points of…
The ground state energy of a system of electrons and nuclei is proven to be a variational functional of the conditional electronic density $n_R(\mathbf{r})$, the nuclear wavefunction $\chi(R)$ and an induced vector potential $A_{\mu}(R)$…
In this paper a new look on the electro-magnetic duality is presented and appropriately exploited. The duality analysis in the nonrelativistic and relativistic formulations is shown to lead to the idea the mathematical model field to be a…