Related papers: Solving Many-Electron Schr\"odinger Equation Using…
We analyze the Schr\"odingerization method for quantum simulation of a general class of non-unitary dynamics with inhomogeneous source terms. The Schr\"odingerization technique, introduced in [31], transforms any linear ordinary and partial…
In a previous article we have shown how one can employ Artificial Neural Networks (ANNs) in order to solve non-homogeneous ordinary and partial differential equations. In the present work we consider the solution of eigenvalue problems for…
In this work, we analytically study the Schr\"odinger equation for the (non-pure) dipolar ion potential V (r) = q/r + Dcos{\theta}/r 2 , in the case of 2D systems using the separation of variables and the Mathieu equations for the angular…
The complexity of many-body quantum wave functions is a central aspect of several fields of physics and chemistry where non-perturbative interactions are prominent. Artificial neural networks (ANNs) have proven to be a flexible tool to…
In this article, the form of basis set for solving helium Schr\"{o}dinger equation is reinvestigated in perspective of geometry. With the help of theorem proved by Gu $et~al.$, we construct a convenient variational basis set, which…
The quantum Monte Carlo algorithm is arguably one of the most powerful computational many-body methods, enabling accurate calculation of many properties in interacting quantum systems. In the presence of the so-called sign problem, the…
We introduce a simple and stable computational method for ill-posed partial differential equation (PDE) problems. The method is based on Schr\"odingerization, introduced in [S. Jin, N. Liu and Y. Yu, arXiv:2212.13969][S. Jin, N. Liu and Y.…
A solution of the scattering problem is obtained for the Schr\"odinger equation with the potential of induced dipole interaction, which decreases as the inverse square of the distance. Such a potential arises in the collision of an incident…
Recent years have witnessed a surge of experimental and theoretical interest in controlling the properties of matter, such as its chemical reactivity, by confining it in optical cavities, where the enhancement of the light-matter coupling…
Accurate low and high-lying bound states of Tietz-Hua oscillator potential are presented. The radial Schr\"odinger equation is solved efficiently by means of the generalized pseudospectral method that enables optimal spatial discretization.…
Quantum Monte Carlo (QMC) methods have received considerable attention over the last decades due to their great promise for providing a direct solution to the many-body Schrodinger equation in electronic systems. Thanks to their low scaling…
We review an explicit approach to obtaining numerical solutions of the Schr\"odinger equation that is conceptionally straightforward and capable of significant accuracy and efficiency. The method and its efficacy are illustrated with…
This work investigates the regularity of Schr\"odinger eigenfunctions and the solvability of Schr\"odinger equations in spectral Barron space $\mathcal{B}^{s}(\mathbb{R}^{nN})$, where neural networks exhibit dimension-free approximation…
An embedding method for solving the time-dependent Schr\"odinger equation is developed using the Dirac-Frenkel variational principle. Embedding allows the time-evolution of the wavefunction to be calculated explicitly in a limited region of…
Ab initio calculation of dielectric response with high-accuracy electronic structure methods is a long-standing problem, for which mean-field approaches are widely used and electron correlations are mostly treated via approximated…
The limit relations for the partial derivatives of the two-electron atomic wave functions at the two-particle coalescence lines have been obtained numerically using accurate CFHHM wave functions. The asymptotic solutions of the proper…
The Schrodinger equation incorporating the long-range Coulomb potential takes the form of a Fredholm equation whose kernel is singular on its diagonal when represented by a basis bearing a continuum of states, such as in a Fourier-Bessel…
For the first time, a nonlinear Schr\"odinger equation of the general form is considered, depending on time and two spatial variables, the potential and dispersion of which are specified by two arbitrary functions. This equation naturally…
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…
Computing accurate yet efficient approximations to the solutions of the electronic Schr\"odinger equation has been a paramount challenge of computational chemistry for decades. Quantum Monte Carlo methods are a promising avenue of…