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 , 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}
}
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15 pages