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

American Journal of Physics

A note on energy minimization and the quantum-mechanical virial theorem for the class of potentials V(x)=A‖x‖n

Harry A. Mavromatis

Published Dec 1, 1992• 1 citation
Publisher

Abstract

It is pointed out that for the class of potentials V(x)=A‖x‖n, the quantum-mechanical virial theorem 〈φm‖T‖φm〉=(n/2)〈φm‖V‖φm〉 is in fact valid for any multiparameter trial wave function ψt=(1/√b)φt (x/b,a0̄,a1̄,...ar̄), where a0̄,a1̄,...ar̄, are dimensionless parameters, provided b is chosen to minimize 〈ψt‖T+V‖ψt〉, i.e., one requires (∂/∂b)[〈ψt‖T+V‖ψt〉]=0. A particular trial wave function of this type is used to illustrate this result.

DOI
10.1119/1.16960

Related papers

Tensor Virial Theorems for Variational Wave Functions

Dave Pandres

It is shown that the tensor virial theorem and certain generalizations of it are satisfied by optimum energy variational wave functions in which the variational parameters are elements of a square matrix that scales the column matrix of particle coordinates.

Physical Review•Jul 15, 1963•14 citations

On the virial theorem for a particle in a box: Accounting for Cauchy's boundary condition

R. Cabrera‐Trujillo, Oriol Vendrell

Most introductory books on quantum mechanics discuss the particle-in-a-box problem through solutions of the Schrödinger equation, at least, in the one-dimensional case. When introducing the virial theorem, however, its discussion in the context of this simple model is not considered and students ponder the question of the validity of the virial theorem for a system with, apparently, no forces. In this work, we address this issue by solving the particle in a finite box and show that the virial theorem is fulfilled when the appropriate Cauchy boundary conditions are taken into account. We also illustrate how, in the limit of the infinite potential box, the virial theorem holds as well. As a consequence, it is possible to determine the averaged force exerted by the walls on the particle. Finally, a discussion of these results in the classical limit is provided.

American Journal of Physics•Nov 19, 2020•4 citations

BEHAVIOUR OF THE WAVE FUNCTION NEAR THE ORIGIN IN THE RADIAL CASE

Emily C. Martin

We give one more proof in two and three space dimensions that the irregular solution of the Schrodinger equation, for zero angular momentum, is in fact the solution of an equation con- taining an extra delta function. We propose another criterium to eliminate the irregular solution which is to require the validity of the virial theorem of which we give a general proof in the classical and quantum cases.

•Jan 1, 2005•0 citations

Behaviour of the wave function near the origin in the radial case

André Martin

We give one more proof in two and three space dimensions that the irregular solution of the Schrodinger equation, for zero angular momentum, is in fact the solution of an equation containing an extra 'delta function'. We propose another criterium to eliminate the irregular solution which is to require the validity of the virial theorem of which we give a general proof in the classical and quantum cases.

arXiv:quant-ph/0411196•Nov 29, 2004•0 citations

Local Virial and Tensor Theorems

Leon W. Cohen

We show that for any wave function and potential the local virial theorem can always be satisfied 2K(r) = r·ΔV by choosing a particular expression for the local kinetic energy. In addition, we show that for each choice of local kinetic energy there are an infinite number of quasi-probability distributions which will generate the same expression. We also consider the local tensor virial theorem.

The Journal of Physical Chemistry A•Aug 24, 2011•5 citations

Expectation of Intrinsic Kinetic Energy of Deuterium Atom Electrons at Principal Quantum Number n≤3

Windi Mu'afi, Bambang Supriadi, Firdha Kusuma Ayu Anggraeni +1 more

The purpose of this study is to find the expected value of the intrinsic kinetic energy of deuterium atoms in radial and total wave functions at quantum numbersn≤3 . The method used in this study is non-experimental research in the field of theoretical-mathematical physics concerning hydrogen atoms. The results of the analysis of the intrinsic kinetic energy expectation value of deuterium atoms calculated through the radial wave functionR_(n,l) (r) show that the energy value decreases significantly as the orbital quantum numberl increases for each fixed value ofn . Meanwhile, the calculation of the intrinsic kinetic energy expectation value of deuterium atoms using the total wave function ψ_(n,l,m) (r,θ,φ) shows that the intrinsic kinetic energy expectation value obtained in the1s state is〈K〉=ℏ^2/(2m〖a_0〗^2 ) , in the2s state, the〈K〉=ℏ^2/(8m〖a_0〗^2 ) value, the 2p state value〈K〉=ℏ^2/(24m〖a_0〗^2 ) , the 3s state value〈K〉=ℏ^2/(18m〖a_0〗^2 ) , the 3p state value 〈K〉=〖5ℏ〗^2/(162m〖a_0〗^2 ) , and the 3d state value 〈K〉=ℏ^2/(90m〖a_0〗^2 ) have the same results as the calculations using the radial wave function. This indicates that the expectation value originates from the radial component, while the contributions from the polar angle(θ) and azimuth(φ) show small variations in the total kinetic energy expectation. Thus, the intrinsic energy expectation of the electron can be obtained through the calculation of the radial wave functionR_(n,l) (r) or the total wave functionψ_(n,l,m) (r,θ,φ).

Jurnal Fisika•Oct 11, 2026•0 citations
It is pointed out that for the class of potentials V(x)=A‖x‖n, the quantum-mechanical virial theorem 〈φm‖T‖φm〉=(n/2)〈φm‖V‖φm〉 is in fact valid for any multiparameter trial wave function ψt=(1/√b)φt (x/b,a0̄,a1̄,...ar̄), where a0̄,a1̄,...ar̄, are dimensionless parameters, provided b is chosen to minimize 〈ψt‖T+V‖ψt〉, i.e., one requires (∂/∂b)[〈ψt‖T+V‖ψt〉]=0. A particular trial wave function of this type is used to illustrate this result.
Most introductory books on quantum mechanics discuss the particle-in-a-box problem through solutions of the Schrödinger equation, at least, in the one-dimensional case. When introducing the virial theorem, however, its discussion in the context of this simple model is not considered and students ponder the question of the validity of the virial theorem for a system with, apparently, no forces. In this work, we address this issue by solving the particle in a finite box and show that the virial theorem is fulfilled when the appropriate Cauchy boundary conditions are taken into account. We also illustrate how, in the limit of the infinite potential box, the virial theorem holds as well. As a consequence, it is possible to determine the averaged force exerted by the walls on the particle. Finally, a discussion of these results in the classical limit is provided.
The purpose of this study is to find the expected value of the intrinsic kinetic energy of deuterium atoms in radial and total wave functions at quantum numbersn≤3 . The method used in this study is non-experimental research in the field of theoretical-mathematical physics concerning hydrogen atoms. The results of the analysis of the intrinsic kinetic energy expectation value of deuterium atoms calculated through the radial wave functionR_(n,l) (r) show that the energy value decreases significantly as the orbital quantum numberl increases for each fixed value ofn . Meanwhile, the calculation of the intrinsic kinetic energy expectation value of deuterium atoms using the total wave function ψ_(n,l,m) (r,θ,φ) shows that the intrinsic kinetic energy expectation value obtained in the1s state is〈K〉=ℏ^2/(2m〖a_0〗^2 ) , in the2s state, the〈K〉=ℏ^2/(8m〖a_0〗^2 ) value, the 2p state value〈K〉=ℏ^2/(24m〖a_0〗^2 ) , the 3s state value〈K〉=ℏ^2/(18m〖a_0〗^2 ) , the 3p state value 〈K〉=〖5ℏ〗^2/(162m〖a_0〗^2 ) , and the 3d state value 〈K〉=ℏ^2/(90m〖a_0〗^2 ) have the same results as the calculations using the radial wave function. This indicates that the expectation value originates from the radial component, while the contributions from the polar angle(θ) and azimuth(φ) show small variations in the total kinetic energy expectation. Thus, the intrinsic energy expectation of the electron can be obtained through the calculation of the radial wave functionR_(n,l) (r) or the total wave functionψ_(n,l,m) (r,θ,φ).