Related papers: A simple and efficient numerical scheme to integra…
The general solutions of Schrodinger equation for non central potential are obtained by using Nikiforov Uvarov method. The Schrodinger equation with general non central potential is separated into radial and angular parts and energy…
The Schr\"{o}dinger equation is solved exactly for some well known potentials. Solutions are obtained reducing the Schr\"{o}dinger equation into a second order differential equation by using an appropriate coordinate transformation. The…
We study the homogenization of a stochastic Schr\"odinger equation with a large periodic potential in solid state physics. Denoting by $\varepsilon$ the period, the potential is scaled as $\varepsilon^{-2}$. Under a generic assumption on…
We report smooth relativistic Hartree-Fock pseudopotentials (also known as averaged relativistic effective potentials or AREPs) and spin-orbit operators for the atoms H to Ba and Lu to Hg. We remove the unphysical extremely non-local…
We derive analytic expressions of the recursive solutions to the Schr\"{o}dinger's equation by means of a cutoff potential technique for one-dimensional piecewise constant potentials. These solutions provide a method for accurately…
We discuss the behavior of solitary wave solutions of the nonlinear Schr{\"o}dinger equation (NLSE) as they interact with complex potentials, using a four parameter variational approximation based on a dissipation functional formulation of…
The Self-Adjoint Extension in the Schrodinger equation for potentials behaved as an attractive inverse square at the origin is critically reviewed. Original results are also presented. It is shown that the additional non-regular solutions…
We introduce a new family of trial wave-functions based on deep neural networks to solve the many-electron Schr\"odinger equation. The Pauli exclusion principle is dealt with explicitly to ensure that the trial wave-functions are physical.…
The nonlinear Schr\"odinger and the Schr\"odinger-Newton equations model many phenomena in various fields. Here, we perform an extensive numerical comparison between splitting methods (often employed to numerically solve these equations)…
A new method for calculation of band structure has been proposed based on the Green's function theory and local sampling. Potential energy in the Hamiltonian of Schrodinger's equation is approximated with a series of sampled Dirac delta…
A new method is presented to reconstruct the potential of a quantum mechanical many-body system from observational data, combining a nonparametric Bayesian approach with a Hartree-Fock approximation. A priori information is implemented as a…
Statistical systems composed of atoms interacting with each other trough nonintegrable interaction potentials are considered. Examples of these potentials are hard-core potentials and long-range potentials, for instance, the Lennard-Jones…
This paper deals with the solution of the spherically symmetric time-dependent Hartree-Fock approximation applied to nuclear giant monopole resonances in the small amplitude regime. The problem is spatially unbounded as the resonance state…
The problem of interest in this article is to study the (nonlocal) inverse problem of recovering a potential based on the boundary measurement associated with the fractional Schr\"{o}dinger equation. Let $0<a<1$, and $u$ solves…
We present efficient and accurate numerical methods for computing the ground state and dynamics of the nonlinear Schr\"odinger equation (NLSE) with nonlocal interactions based on a fast and accurate evaluation of the long-range interactions…
In this paper, applying the De Giorgi method, we obtain nonlocal Harnack inequalities for weak solutions of nonlocal parabolic equations given by an integro-differential operator $\rL_K$ as follows; \begin{equation*}\begin{cases} \rL_K…
Efficient implementations of electronic structure methods are essential for first-principles modeling of molecules and solids. We here present a particularly efficient common framework for methods beyond semilocal density-functional theory,…
We present a new hydrodynamic analogy of nonrelativistic quantum particles in potential wells. Similarities between a real variant of the Schr\"odinger equation and gravity-capillary shallow water waves are reported and analyzed. We show…
A variational technique is established to deal with the Schrodinger equation with parity-time(PT) symmetric Gaussian complex potential. The method is extended to the linear and self-focusing and defocusing nonlinear cases. Some unusual…
The Hartree-Fock-Rothaan equations are solved for He-like ions using the iterative self-consistent method. New complete and orthonormal sets of exponential-type orbitals are employed as the basis. These orbitals satisfy the orthonormality…