Related papers: Schr\"odinger equation solved for the hydrogen mol…
We present a new computational method for the determination of energy levels in four-particle systems like H$_2$, HD, and HeH$^+$ using explicitly correlated exponential basis functions and analytic integration formulas. In solving the…
Highly accurate results from frequency measurements on neutral hydrogen molecules H_2, HD and D_2 as well as the HD^+ ion can be interpreted in terms of constraints on possible fifth-force interactions. Where the hydrogen atom is a probe…
The possible use of high-resolution rovibrational spectroscopy of the hydrogen molecular ions H + 2 and HD + for an independent determination of several fundamental constants is analyzed. While these molecules had been proposed for…
We calculate the hydrogen molecule ion from the two particle Schr"odinger equation. Therefore a very simple two particle basis set is chosen. We suggest this ansatz to be used to solve the "two electron one phonon" three particle…
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-…
The nonrelativistic hydrogen atom in $D=3-2\epsilon$ dimensions is the reference system for perturbative schemes used in dimensionally regularized nonrelativistic effective field theories to describe hydrogen-like atoms. Solutions to the…
We construct a double-well potential for which the Schr\"odinger equation can be exactly solved via reducing to the confluent Heun's one. Thus the wave function is expressed via the confluent Heun's function. The latter is tabulated in {\sl…
The quantum electrodynamic correction to the energy of the hydrogen molecule has been evaluated without expansion in the electron-proton mass ratio. The obtained results significantly improve the accuracy of theoretical predictions reaching…
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-…
This article presents a review of the most recent theoretical and experimental results in hydrogen. We particularly emphasize the methods used to deduce the Rydberg constant $R_\infty$ and we consider the prospects for future improvements…
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…
Spectroscopy of hydrogen can be used for a search into physics beyond the Standard Model. Differences between the absorption spectra of H$_2$ as observed at high redshift and those measured in the laboratory can be interpreted in terms of…
Finding accurate solutions to the Schr\"odinger equation is the key unsolved challenge of computational chemistry. Given its importance for the development of new chemical compounds, decades of research have been dedicated to this problem,…
We introduce an efficient scheme for the molecular dynamics of electronic systems by means of quantum Monte Carlo. The evaluation of the (Born-Oppenheimer) forces acting on the ionic positions is achieved by two main ingredients: i) the…
We develop a high accuracy power series method for solving partial differential equations with emphasis on the nonlinear Schr\"odinger equations. The accuracy and computing speed can be systematically and arbitrarily increased to orders of…
The question of whether hydrogen atoms can exist or not in spaces with a number of dimensions greater than 3 is revisited, considering higher dimensional Euclidean spaces. Previous results which lead to different answers to this question…
The Dirac equation for H$_2^+$ is solved numerically using an iterative method proposed by Kutzelnigg [Z. Phys. 11, 15 (1989]. The four-component wavefunction is expanded in a newly introduced kinetically balanced exponential basis set. The…
In this paper, the conformable Schrodinger equation for hydrogen atom with given conformable potential is solved. The conformable wave functions and energy levels are obtained, and the traditional energy levels and wave function for…
The leading nonadiabatic corrections to rovibrational levels of a diatomic molecule are expressed in terms of three functions of internuclear distance: corrections to the adiabatic potential, the effective nuclear mass, and the effective…
High resolution spectroscopy of the hydrogen atom takes on particular importance in the new SI, as it allows to accurately determine fundamental constants, such as the Rydberg constant and the proton charge radius. Recently, the second most…