Related papers: Correlated Electron-Nuclear Dynamics with Conditio…
The ground state energy of a system of electrons and nuclei is proven to be a variational functional of the conditional electronic density $n_R(\mathbf{r})$, the nuclear wavefunction $\chi(R)$ and an induced vector potential $A_{\mu}(R)$…
We relax the usual diagonal constraint on the matrix representation of the eigenvalue wave equation by allowing it to be tridiagonal. This results in a larger solution space that incorporates an exact analytic solution for the non-central…
Describing the Coulomb interactions between electrons in atomic or molecular systems is an important step to help us obtain accurate results for the different observables in the system. One convenient approach is to separate the dynamic…
For the first time, the general nonlinear Schr\"odinger equation is investigated, in which the chromatic dispersion and potential are specified by two arbitrary functions. The equation in question is a natural generalization of a wide class…
This paper posits the existence of, and finds a candidate for, a variable change that allows quantum mechanics to be interpreted as quantum geometry. The Bohr model of the Hydrogen atom is thought of in terms of an indeterministic electron…
Exact analytic solutions to the Schr\"odinger equation for an electron moving in three dimensional potentials have been studied. These solutions can correspond to metals, semiconductors, or insulators. We show that there is an efficient…
Recent advances in machine learning have facilitated numerically accurate solution of the electronic Schr\"{o}dinger equation (SE) by integrating various neural network (NN)-based wavefunction ansatzes with variational Monte Carlo methods.…
The particle in an expanding/contracting 1-dimension box is revisited in action-angle like variables with direct thermodynamic interpretation. An angle dependent potential is proposed accurately describing the mechanical behavior while also…
Using singlet S states of the helium atom as an example, I describe precise calculation of energy levels in few-electron atoms. In particular, a complete set of effective operators is derived which generates O(m*alpha^6) relativistic and…
The difference of the values of observables for the time-independent Schroedinger equation, with matrix valued potentials, and the values of observables for ab initio Born-Oppenheimer molecular dynamics, of the ground state, depends on the…
We derive the Schroedinger equation for a spinless charged particle constrained to a curved surface with electric and magnetics fields applied. The particle is confined on the surface using a thin-layer procedure, giving rise to the…
We analyse a nonlinear Schr\"odinger equation for the time-evolution of the wave function of an electron beam, interacting selfconsistently through a Hartree-Fock nonlinearity and through the repulsive Coulomb interaction of an atomic…
In this paper we propose an ab initio method to solve quantum many-body problems of molecular dynamics where both the electronic and the nuclear degrees are represented by ensembles of trajectories and guiding waves in physical space. Both…
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…
We demonstrate that the Schr\"odinger equation for two electrons on a ring, which is the usual paradigm to model quantum rings, is solvable in closed form for particular values of the radius. We show that both polynomial and irrational…
A new concept of the molecular structure optimization method based on quantum dynamics computations is presented. Nuclei are treated as quantum mechanical particles, as are electrons, and the many-body wave function of the system is…
In the framework of non-relativistic QED, we show that the renormalized mass of the electron (after having taken into account radiative corrections) appears as the kinematic mass in its response to an external potential force. Specifically,…
An exactly solvable position-dependent mass Schr\"odinger equation in two dimensions, depicting a particle moving in a semi-infinite layer, is re-examined in the light of recent theories describing superintegrable two-dimensional systems…
Accurate numerical solutions for the Schr\"odinger equation are of utmost importance in quantum chemistry. However, the computational cost of current high-accuracy methods scales poorly with the number of interacting particles. Combining…
With an apparent delay of over one century with respect to the development of standard Analytical Mechanics, but still in fully classical terms, the behavior of classical monochromatic wave beams in stationary media is shown to be ruled by…