Related papers: Wronskian method and the Schr\"odinger eigenvalue …
In the presence of a confining potential $V$, the eigenfunctions of a continuous Schr\"odinger operator $-\Delta +V$ decay exponentially with the rate governed by the part of $V$ which is above the corresponding eigenvalue; this can be…
The present contribution concerns the computation of energy eigenvalues of a perturbed anharmonic coulombic potential with irregular singularities using a combination of the Sinc collocation method and the double exponential transformation.…
By performing the canonical quantization of the Abelian Chern-Simons model on the light-front (as suggested by Dirac), we clarify some controversies appearing in recent papers that discuss the relation between the existence of excitations…
In the literature of calculating atomic and molecular structures, most Schrodinger equations are described by Coulomb potential. However, there are also a few literatures that discuss some magnetic correction methods, such as Pauli and…
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-…
We present a self-contained description of the wave-function matching (WFM) method to calculate electronic quantum transport properties of nanostructures using the Landauer-B\"uttiker approach. The method is based on a partition of the…
Simulating a quantum system is more efficient on a quantum computer than on a classical computer. The time required for solving the Schr\"odinger equation to obtain molecular energies has been demonstrated to scale polynomially with system…
The virial theorem is a nice property for the linear Schrodinger equation in atomic and molecular physics as it gives an elegant ratio between the kinetic and potential energies and is useful in assessing the quality of numerically computed…
In order to rigorously evaluate the energy and dipole moment of a certain configuration of molecules one needs to solve the Schr\"odinger equation. Repeating this for many different configurations allows one to determine the potential…
In this letter new, closed and compact analytic expressions for the evaluation of resonant energies, resonant bound-states, eigenvalues and eigenfunctions for both scattering and bounded $n$-cell systems are reported. It is shown that for…
In this paper, we propose an algorithm to construct coherent states for an exactly solvable position dependent mass Schr\"odinger equation. We use point canonical transformation method and obtain ground state eigenfunction of the position…
We derive a semiclassical expression for an energy smoothed autocorrelation function defined on a group of eigenstates of the Schr\"odinger equation. The system we considered is an energy-conserved Hamiltonian system possessing…
Schr\"odinger equation for two center Coulomb plus harmonic oscillator potential is solved by the method of ethalon equation at large intercenter separations. Asymptotical expansions for energy term and wave function are obtained in the…
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 this paper, we compute the eigenvalue problem (EVP) for the semiclassical random Schr\"odinger operators, where the random potentials are parameterized by an infinite series of random variables. After truncating the series, we introduce…
We use the Chapman-Enskog method to derive the Smoluchowski equation from the Kramers equation in a high friction limit. We consider two main extensions of this problem: we take into account a uniform rotation of the background medium and…
The factorization method of Schrodinger shows us how to determine the energy eigenstates without needing to determine the wavefunctions in position or momentum space. A strategy to convert the energy eigenstates to wavefunctions is well…
The impact of targeted replacement of individual terms in empirical force fields is quantitatively assessed for pure water, dichloromethane (DCM), and solvated K$^+$ and Cl$^-$ ions. For the electrostatics, point charges (PCs) and machine…
Exact solution of Schrodinger equation for the pseudoharmonic potential is obtained for an arbitrary angular momentum. The energy eigenvalues and corresponding eigenfunctions are calculated by Nikiforov-Uvarov method. Wavefunctions are…
We build an efficient and unitary (hence stable) method for the solution of the semi-classical Schr\"odinger equation subject with explicitly time-dependent potentials. The method is based on a combination of the Zassenhaus decomposition…