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

Physical Review Letters

Scaled Schrödinger Equation and the Exact Wave Function

Hiroshi Nakatsuji

Published Jul 1, 2004• 108 citations
Publisher

Abstract

We propose the scaled Schrödinger equation and the related principles, and construct a general method of calculating the exact wave functions of atoms and molecules in analytical forms. The nuclear and electron singularity problems no longer occur. Test applications to hydrogen atom, helium atom, and hydrogen molecule are satisfactory, implying a high potentiality of the proposed method.

DOI
10.1103/physrevlett.93.030403

Related papers

Identical particles and atomic structure

A.P. French, Edwin F. Taylor

Extending the one-particle Schrodinger equation from one to three spatial dimensions enabled us to describe electron states in the hydrogen atom and in other hydrogen-like systems. This chapter generalizes the Schrodinger equation from one to two and then to many particles bound as a single system. For all particles of half-integral spin, the total wave function, as for electrons, is always antisymmetric with respect to interchange, whereas with all particles of integral spin the total wave function is always symmetric. The chemical and spectroscopic characteristics of an element depend on the details of the quantum state of its outermost electrons. The chemical valence depends upon the extent to which the total number of electrons in an atom represents an excess or a deficit with respect to the more stable configuration of a completed shell. The Schrödinger equation for helium contains no explicit mention of the spin states of the electrons.

Routledge eBooks•May 11, 2018•0 citations

- Approximation Methods I: Time-Independent Perturbation Theory

S. Rajasekar, R. Velusamy

The starting point in a quantum mechanical problem is the construction of a Schrödinger equation. We try to solve it exactly to obtain wave function. A Schrödinger equation is exactly solvable only for a certain number of simple potentials. In most of the cases the Schrödinger equation cannot be solved exactly. The solution of the Schrödinger equation for the real systems is usually complicated and often exact solutions are very difficult to find or solutions not exist. Examples include as anharmonic oscillator, hydrogen atom in an electric field, a plane rotator in the presence of an applied electric field and so on. Therefore, we need to rely on approximation methods. The simple and most interesting and powerful approximate method is the perturbation theory developed by Schrödinger in 1926 [1]. Earlier Lord Rayleigh [2] analysed harmonic vibrations of a string perturbed by small inhomogeneities. The work of Rayleigh was pointed out by Schrödinger. Consequently, the method is also called Rayleigh-Schrödinger perturbation theory. This method is powerful for determining the changes in the discrete energy values and the associated eigenfunctions of a system due to a weak perturbation, provided the eigenpairs of the undisturbed system are available. The approximations obtained from the perturbation theory are used to calculate energy level diagrams and to understand the splitting and assignments of atomic and molecular spectra [35]. The perturbation theory has been proven to be useful in several fields of theoretical physics and also in chemistry. It provides considerable insight into various phenomena. The main disadvantage of this method is that in certain problems the perturbation series converges slowly or diverges.

CRC Press eBooks•Dec 11, 2014•0 citations

Hydrogen Atom

Ram Yatan Prasad, Pranita

This chapter begins with the simple solution of the Schrödinger equation for hydrogen atom for which the energy value has been derived. The Bohr radius of H atom has also been computed. After this, this chapter provides the generalised solution of the Schrödinger equation for H atom/hydrogen-like species in which F equation, R equation, and T equations have been derived in a simple and lucid way. This chapter also deals with the Laguerre differential equation, Laguerre polynomials, Rodrigues formula for the Laguerre polynomials, Laguerre associated equation and its solution, associated Laguerre polynomials, Rodrigues formula for the associated Laguerre polynomials, and solution of the radial equation. It also provides normalisation of the radial wave function and complete wave function; for the hydrogen atom, hydrogenic atomic orbital; electron density of 1 s electron; mathematical background of shape of orbitals; the most probable distance of electron from nucleus of hydrogen atom, and average distance of electron from the nucleus of hydrogen atom. The end of this chapter describes the references and adequate computational problems (solved problems and question on concepts).

CRC Press eBooks•Jan 15, 2021•0 citations

Legendre Polynomials are Associated in the Schrodinger Polar Equation of Helium Ions

Bambang Supriadi, Eryna Dwicahyaning Krisnawanto, Ratih Wahyudianti +4 more

The helium ion is one of the ions classified as a hydrogenic atom because it has only one electron in its outer orbital so that the helium ion problem can be solved using the Schrodinger equation approach. The Schrodinger equation of the polar part of the helium ion can be solved by the associated legendary polynomial function, . The polar function expresses the angle formed by the vector of the electron's position relative to the z-axis of the helium ion's nuclear position. And it is produced that the polar function of the hydrogenic atom has the same polar function both in position space and in momentum space .

Jurnal Penelitian Pendidikan IPA•May 25, 2024•0 citations

Analytical Solutions of the Schrödinger Equation. Ground State Energies and Wave Functions

J. Dvořák, Lubomír Skála

It is shown that there are two generalizations of some well-known analytically solvable problems leading to exact analytical solutions of the Schrödinger equation for the ground state and a few low lying excited states. In this paper, the ground state energies and wave functions are discussed.

Collection of Czechoslovak Chemical Communications•Jan 1, 1998•8 citations

Schrodinger Equation and Free Particle Wave Function

Karl De Paepe

Using the wave function of a free particle we obtain a solution of the Schrodinger equation for a class of potentials.

•Jan 1, 2021•0 citations
We propose the scaled Schrödinger equation and the related principles, and construct a general method of calculating the exact wave functions of atoms and molecules in analytical forms. The nuclear and electron singularity problems no longer occur. Test applications to hydrogen atom, helium atom, and hydrogen molecule are satisfactory, implying a high potentiality of the proposed method.
Extending the one-particle Schrodinger equation from one to three spatial dimensions enabled us to describe electron states in the hydrogen atom and in other hydrogen-like systems. This chapter generalizes the Schrodinger equation from one to two and then to many particles bound as a single system. For all particles of half-integral spin, the total wave function, as for electrons, is always antisymmetric with respect to interchange, whereas with all particles of integral spin the total wave function is always symmetric. The chemical and spectroscopic characteristics of an element depend on the details of the quantum state of its outermost electrons. The chemical valence depends upon the extent to which the total number of electrons in an atom represents an excess or a deficit with respect to the more stable configuration of a completed shell. The Schrödinger equation for helium contains no explicit mention of the spin states of the electrons.
The starting point in a quantum mechanical problem is the construction of a Schrödinger equation. We try to solve it exactly to obtain wave function. A Schrödinger equation is exactly solvable only for a certain number of simple potentials. In most of the cases the Schrödinger equation cannot be solved exactly. The solution of the Schrödinger equation for the real systems is usually complicated and often exact solutions are very difficult to find or solutions not exist. Examples include as anharmonic oscillator, hydrogen atom in an electric field, a plane rotator in the presence of an applied electric field and so on. Therefore, we need to rely on approximation methods. The simple and most interesting and powerful approximate method is the perturbation theory developed by Schrödinger in 1926 [1]. Earlier Lord Rayleigh [2] analysed harmonic vibrations of a string perturbed by small inhomogeneities. The work of Rayleigh was pointed out by Schrödinger. Consequently, the method is also called Rayleigh-Schrödinger perturbation theory. This method is powerful for determining the changes in the discrete energy values and the associated eigenfunctions of a system due to a weak perturbation, provided the eigenpairs of the undisturbed system are available. The approximations obtained from the perturbation theory are used to calculate energy level diagrams and to understand the splitting and assignments of atomic and molecular spectra [35]. The perturbation theory has been proven to be useful in several fields of theoretical physics and also in chemistry. It provides considerable insight into various phenomena. The main disadvantage of this method is that in certain problems the perturbation series converges slowly or diverges.
This chapter begins with the simple solution of the Schrödinger equation for hydrogen atom for which the energy value has been derived. The Bohr radius of H atom has also been computed. After this, this chapter provides the generalised solution of the Schrödinger equation for H atom/hydrogen-like species in which F equation, R equation, and T equations have been derived in a simple and lucid way. This chapter also deals with the Laguerre differential equation, Laguerre polynomials, Rodrigues formula for the Laguerre polynomials, Laguerre associated equation and its solution, associated Laguerre polynomials, Rodrigues formula for the associated Laguerre polynomials, and solution of the radial equation. It also provides normalisation of the radial wave function and complete wave function; for the hydrogen atom, hydrogenic atomic orbital; electron density of 1 s electron; mathematical background of shape of orbitals; the most probable distance of electron from nucleus of hydrogen atom, and average distance of electron from the nucleus of hydrogen atom. The end of this chapter describes the references and adequate computational problems (solved problems and question on concepts).
The helium ion is one of the ions classified as a hydrogenic atom because it has only one electron in its outer orbital so that the helium ion problem can be solved using the Schrodinger equation approach. The Schrodinger equation of the polar part of the helium ion can be solved by the associated legendary polynomial function, . The polar function expresses the angle formed by the vector of the electron's position relative to the z-axis of the helium ion's nuclear position. And it is produced that the polar function of the hydrogenic atom has the same polar function both in position space and in momentum space .