相关论文: Benchmark potential energy curve for collinear H$_…
Nucleus-nucleus optical potentials are constructed from an energy density functional approach first outlined by Brueckner et al. The interaction term of the energy density functional comes from the complex nucleon self-energy computed in…
The previously proposed Heisenberg-type relation $ E_c t_c >> \hbar {\cal C}$ for the energy used by a quantum computer, the total computation time and the logical ("classical") complexity of the problem is verified for the following…
We present a hybrid quantum classical neural network that can be trained to perform electronic structure calculation and generate potential energy curves of simple molecules. The method is based on the combination of parameterized quantum…
A charged particle (electron or hole) confined in nanorod of strongly prolate ellipsoidal shape is considered. The effective-mass Schr\"odinger equation is solved in prolate spheroidal coordinates and asymptotically exact expressions for…
The Schroedinger equation is solved exactly within the Born-Oppenheimer approximation for a simulacrum of the $H_3^{++}$-ion. The ion is assumed to form an isosceles triangle and the ground state energy is obtained over its geometrical…
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…
Quantum computing algorithms have been shown to produce performant quantum kernels for machine-learning classification problems. Here, we examine the performance of quantum kernels for regression problems of practical interest. For an…
We consider the problem of numerically solving the Schr\"odinger equation with a potential that is quasi periodic in space and time. We introduce a numerical scheme based on a newly developed multi-time scale and averaging technique. We…
By the use of the variational method with exponential trial functions the upper and lower bounds of energy are calculated for a number of non-relativistic three-body Coulomb and nuclear systems. The formulas for calculation of upper and…
In electronic structure calculations, the correlation energy is defined as the difference between the mean field and the exact solution of the non relativistic Schr\"odinger equation. Such an error in the different calculations is not…
In the present work we establish a quantization result for the angular part of the energy of solu- tions to elliptic linear systems of Schr\"odinger type with antisymmetric potentials in two dimension. This quantization is a consequence of…
The purpose of this Comment is to show that the solutions to the zero energy Schr\"odinger equations for monomial central potentials discussed in a recently published Letter, may also be obtained from the corresponding free particle…
The optimal charging infrastructure planning problem over a large geospatial area is challenging due to the increasing network sizes of the transportation system and the electric grid. The coupling between the electric vehicle travel…
A method is developed for generating pseudopotentials for use in correlated-electron calculations. The paradigms of shape and energy consistency are combined and defined in terms of correlated-electron wave-functions. The resulting energy…
A numerical method for solving Schrodinger's equation based upon a Baker-Campbell-Hausdorff (BCH) expansion of the time evolution operator is presented herein. The technique manifestly preserves wavefunction norm, and it can be applied to…
By employing the concept of conformable fractional Nikiforv-Uvarov (NU) method, we solved the fractional Schrodinger equation with the screened Kratzer potential (SKP). By applying the Greene-Aldrich approximation and a coordinate…
We review various effective potential methods which have been useful to compute the Higgs mass spectrum and couplings of the minimal supersymmetric standard model. We compare results where all-loop next-to-leading-log corrections are…
We obtain the exact energy spectra and corresponding wave functions of the radial Schr\"odinger equation (RSE) for any (n,l) state in the presence of a combination of psudoharmonic, Coulomb and linear confining potential terms using an…
We introduce a machine learning model to predict atomization energies of a diverse set of organic molecules, based on nuclear charges and atomic positions only. The problem of solving the molecular Schr\"odinger equation is mapped onto a…
In light of major developments over the past decades in both quantum computing and simulations on classical hardware, it is a serious challenge to identify a real-world problem where quantum advantage is expected to appear. In quantum…