Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

European Journal of Physics

Quantitative calculation of the absorption spectrum of the hydrogen atom

John F. Ogilvie, G. J. Fee

Published Jan 31, 2014• 3 citations
Publisher

Abstract

With mathematical software ( Maple ), we have calculated quantitatively the entire absorption spectrum of the hydrogen atom in its electronic ground state for transitions to both discrete and continuum states, within the purview of non-relativistic wave mechanics. We present plots of wave functions in both coordinate and momentum representations and the calculated spectra.

DOI
10.1088/0143-0807/35/2/025017

Related papers

Wave mechanics of the hydrogen atom

John F. Ogilvie

The hydrogen atom is a system amenable to an exact treatment within Schroedinger's formulation of quantum mechanics according to coordinates in four systems -- spherical polar, paraboloidal, ellipsoidal and spheroconical coordinates; the latter solution is reported for the first time. Applications of these solutions include angular momenta, a quantitative calculation of the absorption spectrum and accurate plots of surfaces of amplitude functions. The shape of an amplitude function, and even the quantum numbers in a particular set to specify such an individual function, depend on the coordinates in a particular chosen system, and are therefore artefacts of that particular coordinate representation within wave mechanics. All discussion of atomic or molecular properties based on such shapes or quantum numbers therefore lacks general significance

arXiv:1603.00899•Feb 28, 2016•2 citations

The hydrogen atom according to wave mechanics - I. spherical polar coordinates

John F. Ogilvie

In the first of five parts in a series, the Schroedinger equation is solved in spherical polar coordinates to yield wave functions that enable an accurate calculation of the frequencies and intensities of lines in the absorption spectrum of the Lyman series in the vacuum-ultraviolet region. Accurate plots of surfaces of amplitude functions illustrate the variation of shapes and sizes varying with quantum numbers k, l, m for comparison with the corresponding plots of amplitude functions in other systems of coordinates.

•Jun 29, 2017•4 citations

The electron motion in the practically coulomb field

D. V. Kalinovsky, E. S. Savin

will be added. One can explain the nature of the term by examining the relativistic case. Below the formulas for the radial and angular parts of the wave function were evaluated. The term for the energetic levels of the hydrogen atom for specific quantum numbers was given. We calculated the values of several specific radial functions for different quantum numbers, as well as the values of the radial function at the origin of coordinates and wide apart. A number of mean values for different powers of r was calculated. For the continuous spectrum the radial eigenfunctions were calculated.

•Apr 1, 2013•0 citations

The hydrogen atom: wave mechanics beyond Schroedinger; orbitals as algebraic formulae derived in all four coordinate systems

John F. Ogilvie

Chemists are aware of the solution of Schroedinger's equations for the hydrogen atom in only spherical polar coordinates, but the spatial variables are separable also in three other systems - - paraboloidal, ellipsoidal and spheroconical; we report here explicit algebraic solutions directly derived in ellipsoidal and spheroconical coordinates for the first time. Our solutions progress from those previously known in spherical polar but not entirely understood, through those little known in paraboloidal, to those in systems of ellipsoidal and spheroconical coordinates unknown before the present work. Applications of these solutions include angular momenta, a quantitative calculation of the discrete absorption spectrum and accurate plots of surfaces of amplitude functions. The shape of a surface of a particular amplitude function, and even the quantum numbers in a particular set to specify such an individual function, depend on a particular chosen system of coordinates, and are therefore artefacts of that coordinate representation within wave mechanics; a choice of a coordinate system to discuss atomic or molecular properties based on the shapes of amplitude functions or their respective quantum numbers is hence arbitrary

•Jun 20, 2017•2 citations

Calculation of Transition Probabilities in Quantum Mechanics with a Nonnegative Distribution Function in the Maple Computer Algebra System

A. V. Zorin, N. P. Tretyakov

Abstract In the Maple computer algebra system, an algorithm is implemented for symbolic and numerical computations for finding the transition probabilities for hydrogen-like atoms in quantum mechanics with a nonnegative quantum distribution function (QDF). Quantum mechanics with a nonnegative QDF is equivalent to the standard theory of quantum measurements. However, the presence in it of a probabilistic quantum theory in the phase space gives additional possibilities for calculating and interpreting the results of quantum measurements. The methods of computer algebra seem to be necessary for the relevant calculations. The calculation of the matrix elements of operators is necessary for determining the energy levels, oscillator strengths, and radiation transition parameters for atoms and ions with an open shell. Transition probabilities are calculated and compared with experimental data. They are calculated using the Galerkin method with the Sturm functions of the hydrogen atom as coordinate functions. The verification of the model showed good agreement between the calculated and experimentally measured transition probabilities.

Computational Mathematics and Mathematical Physics•Jan 1, 2020•1 citation

Coherent states for the hydrogen atom: discrete and continuous spectra

Semyon Pol'shin

We construct the systems of generalised coherent states for the discrete and continuous spectra of the hydrogen atom. These systems are expressed in terms of elementary functions and are invariant under the $SO(3, 2)$ (discrete spectrum) and $SO(4, 1)$ (continuous spectrum) subgroups of the dynamical symmetry group $SO(4, 2)$ of the hydrogen atom. Both systems of coherent states are particular cases of the kernel of integral operator which interwines irreducible representations of the $SO(4, 2)$ group.

•Aug 9, 2001•4 citations
With mathematical software ( Maple ), we have calculated quantitatively the entire absorption spectrum of the hydrogen atom in its electronic ground state for transitions to both discrete and continuum states, within the purview of non-relativistic wave mechanics. We present plots of wave functions in both coordinate and momentum representations and the calculated spectra.
The hydrogen atom is a system amenable to an exact treatment within Schroedinger's formulation of quantum mechanics according to coordinates in four systems -- spherical polar, paraboloidal, ellipsoidal and spheroconical coordinates; the latter solution is reported for the first time. Applications of these solutions include angular momenta, a quantitative calculation of the absorption spectrum and accurate plots of surfaces of amplitude functions. The shape of an amplitude function, and even the quantum numbers in a particular set to specify such an individual function, depend on the coordinates in a particular chosen system, and are therefore artefacts of that particular coordinate representation within wave mechanics. All discussion of atomic or molecular properties based on such shapes or quantum numbers therefore lacks general significance
In the first of five parts in a series, the Schroedinger equation is solved in spherical polar coordinates to yield wave functions that enable an accurate calculation of the frequencies and intensities of lines in the absorption spectrum of the Lyman series in the vacuum-ultraviolet region. Accurate plots of surfaces of amplitude functions illustrate the variation of shapes and sizes varying with quantum numbers k, l, m for comparison with the corresponding plots of amplitude functions in other systems of coordinates.
will be added. One can explain the nature of the term by examining the relativistic case. Below the formulas for the radial and angular parts of the wave function were evaluated. The term for the energetic levels of the hydrogen atom for specific quantum numbers was given. We calculated the values of several specific radial functions for different quantum numbers, as well as the values of the radial function at the origin of coordinates and wide apart. A number of mean values for different powers of r was calculated. For the continuous spectrum the radial eigenfunctions were calculated.
Chemists are aware of the solution of Schroedinger's equations for the hydrogen atom in only spherical polar coordinates, but the spatial variables are separable also in three other systems - - paraboloidal, ellipsoidal and spheroconical; we report here explicit algebraic solutions directly derived in ellipsoidal and spheroconical coordinates for the first time. Our solutions progress from those previously known in spherical polar but not entirely understood, through those little known in paraboloidal, to those in systems of ellipsoidal and spheroconical coordinates unknown before the present work. Applications of these solutions include angular momenta, a quantitative calculation of the discrete absorption spectrum and accurate plots of surfaces of amplitude functions. The shape of a surface of a particular amplitude function, and even the quantum numbers in a particular set to specify such an individual function, depend on a particular chosen system of coordinates, and are therefore artefacts of that coordinate representation within wave mechanics; a choice of a coordinate system to discuss atomic or molecular properties based on the shapes of amplitude functions or their respective quantum numbers is hence arbitrary
Abstract In the Maple computer algebra system, an algorithm is implemented for symbolic and numerical computations for finding the transition probabilities for hydrogen-like atoms in quantum mechanics with a nonnegative quantum distribution function (QDF). Quantum mechanics with a nonnegative QDF is equivalent to the standard theory of quantum measurements. However, the presence in it of a probabilistic quantum theory in the phase space gives additional possibilities for calculating and interpreting the results of quantum measurements. The methods of computer algebra seem to be necessary for the relevant calculations. The calculation of the matrix elements of operators is necessary for determining the energy levels, oscillator strengths, and radiation transition parameters for atoms and ions with an open shell. Transition probabilities are calculated and compared with experimental data. They are calculated using the Galerkin method with the Sturm functions of the hydrogen atom as coordinate functions. The verification of the model showed good agreement between the calculated and experimentally measured transition probabilities.
We construct the systems of generalised coherent states for the discrete and continuous spectra of the hydrogen atom. These systems are expressed in terms of elementary functions and are invariant under the SO(3,2)SO(3, 2)SO(3,2) (discrete spectrum) and SO(4,1)SO(4, 1)SO(4,1) (continuous spectrum) subgroups of the dynamical symmetry group SO(4,2)SO(4, 2)SO(4,2) of the hydrogen atom. Both systems of coherent states are particular cases of the kernel of integral operator which interwines irreducible representations of the SO(4,2)SO(4, 2)SO(4,2) group.