Bounds for the second and the third derivatives of the electron density at the nucleus
Atomic Physics
2009-11-13 v2 Chemical Physics
Abstract
Lower bound for , the second derivative of the spherically averaged atomic electronic density at the nucleus, and upper bound for , the third derivative, are obtained respectively. It is shown that, for the ground state, and where is the charge of the nucleus, and is the electron density at the nucleus. Tighter bounds for and are also reported which are valid for both the ground state and excited states. Explicit illustration with the example of one-electron atomic ions is given.
Keywords
Cite
@article{arxiv.0709.4311,
title = {Bounds for the second and the third derivatives of the electron density at the nucleus},
author = {Zhixin Qian},
journal= {arXiv preprint arXiv:0709.4311},
year = {2009}
}
Comments
4 pages