Related papers: Quantum Mechanics of a Simulated Tri-hydrogen Dica…
We substantiate the need for account of the proper electromagnetic field of the electron in the canonical problem of hydrogen in relativistic quantum mechanics. From mathematical viewpoint, the goal is equivalent to determination of the…
Using Mathematica 3.0, the Schroedinger equation for bound states is solved. The method of solution is based on a numerical integration procedure together with convexity arguments and the nodal theorem for wave functions. The interaction…
A complete solution to the long standing problem of basing Schroedinger quantum theory on standard stochastic theory is given. The solution covers all "single" particle three-dimensional Schroedinger theory linear or nonlinear and with any…
We propose an alternative to the usual time--independent Born--Oppenheimer approximation that is specifically designed to describe molecules with non--symmetrical hydrogen bonds. In our approach, the masses of the hydrogen nuclei are scaled…
We present quantum algorithms for electromagnetic fields governed by Maxwell's equations. The algorithms are based on the Schr\"odingersation approach, which transforms any linear PDEs and ODEs with non-unitary dynamics into a system…
The time-dependent Schr\"odinger equation for atomic hydrogen in few-cycle laser pulses is solved numerically. Introducing a positive definite quantum distribution function in energy-position space, a straightforward comparison of the…
This work applies a reduced basis method to study the continuum physics of a finite quantum system -- either few or many-body. Specifically, I develop reduced-order models, or emulators, for the underlying inhomogeneous Schr\"{o}dinger…
We generalize the known solution of the Schr\"odinger equation, describing a particle confined to a triangular area, for a triangular graphene quantum dot with armchair-type boundaries. The quantization conditions, wave functions, and the…
We apply the Born--Oppenheimer approximation to a harmonic diatomic molecule with one electron. We compare the exact and approximate results not only for the internal degrees of freedom but also for the motion of the center of mass. We…
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…
Quantum theory has been remarkably successful in providing an understanding of physical systems at foundational scales. Solving the Schr\"odinger equation provides full knowledge of all dynamical quantities of the physical system. However…
While historically many quantum mechanical simulations of molecular dynamics have relied on the Born-Oppenheimer approximation to separate electronic and nuclear behavior, recently a lot of interest has arisen towards quantum effects in…
It is shown fields that cannot be represented over one complex plane can be further decomposed for representation over multiple complex planes. This finding is demonstrated here by solving of the Schr\"{o}dinger equation for the hydrogen…
In this paper, we present quantum algorithms for a class of highly-oscillatory transport equations, which arise in semiclassical computation of surface hopping problems and other related non-adiabatic quantum dynamics, based on the…
We consider a model dissipative quantum-mechanical system realized by coupling a quantum oscillator to a semi-infinite classical string which serves as a means of energy transfer from the oscillator to the infinity and thus plays the role…
It is shown that a class of approximate resonance solutions in the three-body problem under the Newtonian gravitational force are equivalent to quantized solutions of a modified Schr\"odinger equation for a wide range of masses that…
We solve the stationary Schr\"odinger equation for a particle confined to a 3D spherical wedge -- the region $\{(r,\theta,\phi): 0 \leq r \leq R,\, 0 \leq \theta \leq \pi,\, 0 \leq \phi \leq \Phi\}$ with Dirichlet BCs on all surfaces. This…
The Schrodinger equation is one of the most important equations in physics and chemistry and can be solved in the simplest cases by computer numerical methods. Since the beginning of the 70s of the last century the computer began to be used…
Five physics mechanisms of interaction leading to the binding of the ${\rm H}_3^+$ molecular ion are identified. They are realized in a form of variational trial functions and their respective total energies are calculated. Each of them…
In this work, we use the Born-Oppenheimer approximation where the potential between atoms can be approximated as a function of distance between the two nuclei to study the four-quark bound states. By the approximation, Heitler and London…