English

Relativistic variational methods and the Virial Theorem

Atomic Physics 2021-09-28 v1

Abstract

In the case of the one-electron Dirac equation with a point nucleus the Virial Theorem (VT) states that the ratio of the kinetic energy to potential energy is exactly 1-1, a ratio that can be an independent test of the accuracy of a computed solution. This paper studies the virial theorem for subshells of equivalent electrons and their interactions in many-electron atoms. It shows that some Slater integrals impose conditions on a single subshell but others impose conditions between subshells. The latter slow the rate of convergence of the self-consistent field process in which radial functions are updated one at a time. Several cases are considered.

Keywords

Cite

@article{arxiv.2109.12693,
  title  = {Relativistic variational methods and the Virial Theorem},
  author = {Charlotte Froese Fischer and Michel Godefroid},
  journal= {arXiv preprint arXiv:2109.12693},
  year   = {2021}
}

Comments

15 pages

R2 v1 2026-06-24T06:20:59.417Z