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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 cast the quantum chemistry problem of computing bound states as that of solving a set of auxiliary eigenvalue problems for a family of parameterized compact integral operators. The compactness of operators assures that their spectrum is…
The paper presents a variational quantum algorithm to solve initial-boundary value problems described by second-order partial differential equations. The approach uses hybrid classical/quantum hardware that is well suited for quantum…
We study multiple ionization in proton collisions with water, methane, and ammonia molecules using an independent-atom model. Previous work on total (net) capture and ionization cross sections is extended to treat the multiple ionization…
Context: Due to advances in synthesizing lower dimensional materials there is the challenge of finding the wave equation that effectively describes quantum particles moving on 1D and 2D domains. Jensen and Koppe and Da Costa independently…
The model of a two-electron quantum dot, confined to move in a two dimensional flat space, is revisited. Generally, it is argued that the solutions of this model obtained by solving a biconfluent Heun equation have some limitations. In…
The approximate analytical bound state solution of the Schr\"odinger equation for the Manning-Rosen potential is carried out by taking a new approximation scheme to the orbital centrifugal term. The Nikiforov-Uvarov method is used in the…
Quantum computing offers several new pathways toward finding many-body eigenstates, with variational approaches being some of the most flexible and near-term oriented. These require particular parameterizations of the state, and for solving…
A longstanding computational challenge is the accurate simulation of many-body particle systems. Especially for deriving key characteristics of high-impact but complex systems such as battery materials and high entropy alloys (HEA). While…
We present a variant of the recently developed quantum corrected model (QCM) for plasmonic nanoparticles [Nature Commun. 3, 825 (2012)] using non-local boundary conditions. The QCM accounts for electron tunneling in narrow gap regions of…
The BOUND program calculates the bound states of a complex formed from two interacting particles using coupled-channel methods. It is particularly suitable for the bound states of atom-molecule and molecule-molecule Van der Waals complexes…
A numerical matrix methodology is applied to quantum problems with periodic potentials. The procedure consists essentially in replacing the true potential by an alternative one, restricted by an infinite square well, and in expressing the…
Ionization is a problematic quantity in that it does not have a well-defined thermodynamic definition, yet it is a key parameter within plasma modelling. One still therefore aims to find a consistent and unambiguous definition for the…
We present a novel method for the simulation of the vibration-induced autoionization dynamics in molecular anions in the framework of the quantum-classical surface hopping approach. Classical trajectories starting from quantum initial…
We develop an approach for the treatment of one--dimensional bounded quantum--mechanical models by straightforward modification of a successful method for unbounded ones. We apply the new approach to a simple example and show that it…
Starting from a potential with a continuum of energy eigenstates, we show how the methods of supersymmetric quantum mechanics can be used to generate families of potentials with bound states in the continuum [BICs]. We also find the…
By converting the rectangular basis potential V(x,y) into the form as V(r)+V(r, phi) described by the pseudo central plus noncentral potential, particular solutions of the two dimensional Schrodinger equation in plane-polar coordinates have…
In this paper, a quantum dot mathematical model based on a two-dimensional Schr\"odinger equation assuming the 1/r inter-electronic potential is revisited. Generally, it is argued that the solutions of this model obtained by solving a…
Exact solution of Schrodinger equation for the Mie potential is obtained for an arbitrary angular momentum. The energy eigenvalues and the corresponding wavefunctions are calculated by the use of the Nikiforov-Uvarov method. Wavefunctions…
We outline a remarkably efficient method for generating solutions to quantum anharmonic oscillators with an x^{2M} potential. We solve the Schroedinger equation in terms of a free parameter which is then tuned to give the correct boundary…