Related papers: Benchmark potential energy curve for collinear H$_…
We report state-of-the-art ab initio calculations of the potential energy curve for the $a^3\Sigma_u^+$ state of the lithium dimer conducted to achieve spectroscopic accuracy ($<$1cm$^{-1}$) without any prior adjustment to fit the…
With gates of a quantum computer designed to encode multi-dimensional vectors, projections of quantum computer states onto specific qubit states can produce kernels of reproducing kernel Hilbert spaces. We show that quantum kernels obtained…
By considering the Higgs mechanism in the framework of a parity-preserving Planar Quantum Electrodynamics, one shows that an attractive electron-electron interaction may come out. The e-e interaction potential emerges as the…
The method reducing the solution of the Schroedinger equation for several types of power potentials to the solution of the eigenvalue problem for the infinite system of algebraic equations is developed. The finite truncation of this system…
It is shown that Schr\"odinger equation with combination of three potentials U = - {\alpha} r^{-1} + {\beta} r + kr^{2}, Coulomb, linear and harmonic, the potential often used to describe quarkonium, is reduced to a bi-confluent Heun…
The fundamental problem faced in quantum chemistry is the calculation of molecular properties, which are of practical importance in fields ranging from materials science to biochemistry. Within chemical precision, the total energy of a…
In an innovative inverse-problem construction the measured, experimental energies $E_1$, $E_2$, ...$E_N$ of a quantum bound-state system are assumed fitted by an N-plet of zeros of a classical orthogonal polynomial $f_N(E)$. We reconstruct…
We give a polynomial-time algorithm for computing upper bounds on some of the smaller energy eigenvalues in a spin-1/2 ferromagnetic Heisenberg model with any graph $G$ for the underlying interactions. An important ingredient is the…
By using the \emph{Rydberg--Klein--Rees} (RKR) formulas to solve the inverse Schr\"{o}dinger problem, we found a confining bottom-up potential from a given eigenvalue spectrum. To illustrate this methodology, we consider the vector meson…
It is considered that the effective interaction between any two quarks in a baryon can be approximately described by a simple harmonic potential. Also, it is made use of the nonrelativistic approximation. The problem is firstly solved in…
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…
Analytic solutions for the energy eigenvalues are obtained from a confined potentials of the form $br$ in 3 dimensions. The confinement is effected by linear term which is a very important part in Cornell potential. The analytic eigenvalues…
We demonstrate the simulation of a noncollinear molecule, e.g. H2O molecule using Variational Quantum Eigensolver (VQE) with high chemical accuracy. The 2D and 3D potential energy surface (PES) were reported. Taking advantage of the…
Starting with an orthogonal polynomial sequence $\{p_n(s)\}_{n=0}^\infty$ that has a discrete spectrum, we design an energy spectrum formula, $E_k = f (s_k)$, where $|{s_k\}$ is the finite or infinite discrete spectrum of the polynomial.…
Potential energy surfaces of the hydrogen molecular ion H$_2^+$ in the Born-Oppenheimer approximation are computed by means of the Riccati-Pad\'e method (RPM). The convergence properties of the method are analyzed for different states. The…
We demonstrate how to determine numerically nearly exact orthonormal orbitals that are optimal for evaluation of the energy of arbitrary (correlated) states of atoms and molecules by minimization of the energy Lagrangian. Orbitals are…
For a given many-electron molecule, it is possible to define a corresponding one-electron Schr\"odinger equation, using potentials derived from simple atomic densities, whose solution predicts fairly accurate molecular orbitals for single-…
The full electroweak radiative correction is calculated for the process ee--> nunubarHH which is a window for the study of the Higgs potential at the future linear collider. The calculation is done by using GRACE, the automated system for…
We derive the variational formulation of a gradient damage model by applying the energetic formulation of rate-independent processes and obtain a regularized formulation of fracture. The model exhibits different behavior at traction and…
In this work, we study the existence of various classes of standing waves for a nonlinear Schr\"odinger system with quadratic interaction, along with a harmonic or partially harmonic potential. We establish the existence of ground-state…