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For bound states of atoms and molecules of $N$ electrons we consider the corresponding $K$-particle reduced density matrices, $\Gamma^{(K)}$, for $1 \le K \le N-1$. Previously, eigenvalue bounds were obtained in the case of $K=1$ and…
This paper explores the explicit design of quantum circuits for quantum simulation of partial differential equations (PDEs) with physical boundary conditions. These equations and/or their discretized forms usually do not evolve via unitary…
We develop a new method for solving two- and three-body bound state problems using unsupervised machine learning techniques. We use a deep neural network to calculate both simple and realistic potentials, obtaining the properties of the…
We derive the finite-volume correction to the binding energy of an N-particle quantum bound state in a cubic periodic volume. Our results are applicable to bound states with arbitrary composition and total angular momentum, and in any…
In the past, several efficient methods have been developed to solve the Schroedinger equation for four-nucleon bound states accurately. These are the Faddeev-Yakubovsky, the coupled-rearrangement-channel Gaussian-basis variational, the…
The bound states of a particle in a lens-shaped quantum dot with finite confinement potential are obtained in the envelope function approximation. The quantum dot has circular base with radius $a$ and maximum cap height $b$, and the…
The formulation of the eigenvalue problem for the Schr\"odinger equation is studied, for the numerical solution a new approach is applied. With the usual exponentially rising free-state asymptotical behavior, and also with a first order…
A unified scheme using the R-matrix method has been developed for electron-ion recombination subsuming heretofore separate treatments of radiative and dielectronic recombination (RR and DR). The ab initio coupled channel approach unifies…
Curvature induced bound state (E < 0) eigenvalues and eigenfunctions for a particle constrained to move on the surface of a torus are calculated. A limit on the number of bound states a torus with minor radius a and major radius R can…
Accurately solving the Schr\"odinger equation remains a central challenge in computational physics, chemistry, and materials science. Here, we propose an alternative eigenvalue problem based on a system's autocorrelation function, avoiding…
Using the method of the "exact discretization" of the Schr\"odinger equation, we propose a particular discretized version of the N=2 Supersymmetric Quantum Mechanics. After defining the corresponding shape invariance condition, we show that…
The nuclear shell model is one of the prime many-body methods to study the structure of atomic nuclei, but it is hampered by an exponential scaling on the basis size as the number of particles increases. We present a shell-model quantum…
Recently, the problem of boundary stabilization for unstable linear constant-coefficient reaction-diffusion equation on N-balls has been solved by means of the backstepping method. However, the extension of this result to spatially-varying…
In molecular reactions at the microscopic level the appearance of resonances has an important influence on the reactivity. It is important to predict when a bound state transitions into a resonance and how these transitions depend on…
A parallel cut-cell algorithm is described to solve the free-boundary problem of the Grad-Shafranov equation. The algorithm reformulates the free-boundary problem in an irregular bounded domain and its important aspects include a searching…
The procedure commonly used in textbooks for determining the eigenvalues and eigenstates for a particle in an attractive Coulomb potential is not symmetric in the way the boundary conditions at $r=0$ and $r \rightarrow \infty$ are…
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…
In this research, the radial Schrodinger equation for a newly proposed screened Kratzer-Hellmann potential model was studied via the conventional Nikiforov-Uvarov method. The approximate bound state solution of the Schrodinger equation was…
We present the application of the spherically averaged continuum model to the evaluation of molecular photoelectron and resonant Auger electron spectra. In this model, the continuum wave function is obtained in a numerically efficient way…
We investigate the controllability of an infinite-dimensional quantum system: a quantum particle confined on a Thick Quantum Graph, a generalisation of Quantum Graphs whose edges are allowed to be manifolds of arbitrary dimension with…