Related papers: Resolving Correlated States of Benzyne on a Quantu…
The aim of this article is to analyze numerical schemes using two-layer neural networks withinfinite width for the resolution of high-dimensional Schr{\"o}dinger eigenvalue problems with smoothinteraction potentials and Neumann boundary…
We develop a modified semi-classical approach to the approximate solution of Schrodinger's equation for certain nonlinear quantum oscillations problems. At lowest order, the Hamilton-Jacobi equation of the conventional semi-classical…
The development of numerical methods capable of simulating realistic materials with strongly correlated electrons, with controllable errors, is a central challenge in quantum many-body physics. Here we describe how a hybrid between…
The methods of quantum chemistry and solid state theory to solve the many-body problem are reviewed. We start with the definitions of reduced density matrices, their properties (contraction sum rules, spectral resolutions, cumulant…
Quantum simulations of electronic structure with a transformed Hamiltonian that includes some electron correlation effects are demonstrated. The transcorrelated Hamiltonian used in this work is efficiently constructed classically, at…
A new approach in solution of simple quantum mechanical problems in deformed space with minimal length is presented. We propose the generalization of Schro\"edinger equation in momentum representation on the case of deformed Heisenberg…
A new mathematical model for the description of three electron quantum dots in 2D space is created, and ground states of this system in external magnetic field is investigated. The Schrodinger equation for three two-dimensional electrons is…
Quantum computers can be used to address molecular structure, materials science and condensed matter physics problems, which currently stretch the limits of existing high-performance computing resources. Finding exact numerical solutions to…
We demonstrate that the Schr\"odinger equation for two electrons on a ring, which is the usual paradigm to model quantum rings, is solvable in closed form for particular values of the radius. We show that both polynomial and irrational…
In this thesis, we study a quantization condition in relation to the solvability of Schr\"{o}dinger equations. This quantization condition is called the SWKB (supersymmetric Wentzel-Kramers-Brillouin) quantization condition and has been…
We use special quadrature formulas for singular and hypersingular integral to numerically solve the Schr\"{o}dinger equation in momentum space with the linear confinement potential, Coulomb and Cornell potentials. It is shown that the…
Quantum algorithms for molecular electronic structure have been developed with lower computational scaling than their classical counterparts, but emerging quantum hardware is far from being capable of the coherence,connectivity and gate…
In this work we present an experimental demonstration of the Contextual Subspace Variational Quantum Eigensolver on superconducting quantum hardware. In particular, we compute the potential energy curve for molecular nitrogen, where a…
We found that the two-dimensional Schr\"odinger equation for 3 electrons in an homogeneous magnetic field (perpendicular to the plane) and a parabolic scalar confinement potential (frequency $\omega_0$) has exact analytical solutions in the…
We proposed a distributed approximating functional method for efficiently describing the electronic dynamics in atoms and molecules in the presence of the Coulomb singularities, using the kernel of a grid representation derived by using the…
Two-body reduced density matrices (2RDMs) encode the essential two-electron physics of electronic states, but their quartic storage cost poses a major limitation in practical workflows. We investigate a simple protocol to compress both…
The ground state energy of a many-electron system can be approximated by an variational approach in which the total energy of the system is minimized with respect to one and two-body reduced density matrices (RDM) instead of many-electron…
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…
Recently, an adaptive variational algorithm termed Adaptive Derivative-Assembled Pseudo-Trotter ansatz Variational Quantum Eigensolver (ADAPT-VQE) has been proposed by Grimsley et al. (Nat. Commun. 10, 3007) while the number of measurements…
We calculate the bound state spectrum of the highly excited valence electron in the heavy alkali atoms solving the radial Schr\"odinger eigenvalue problem numerically with an accurate spectral collocation algorithm that applies also for a…