English

Critical charge of a system with one electron and five or six charged centers

Chemical Physics 2015-11-09 v2 Quantum Physics

Abstract

We consider a Coulomb system of one electron and five or six infinitely massive centers of charge ZZ: (5Z,e)(5Z,e) and (6Z,e)(6Z,e). Critical charges and the possible optimal geometrical configurations are found. It is shown that the domain of stability for (5Z,e)(5Z,e) is 0<ZZcr(5Z,e)=0.3500 < Z \leq Z_{cr}^{(5Z,e)}=0.350 with the optimal geometrical configuration given by a dipyramid (equilateral triangle base) circumscribed in a prolate spheroid. For (6Z,e)(6Z,e) the stability is 0<ZZcr(6Z,e)=0.3350 < Z \leq Z_{cr}^{(6Z,e)}=0.335 with the optimal geometrical configuration given by an octahedron (square base), circumscribed in an oblate spheroid. For both systems we obtain an indication that total energy at Z=ZcrZ=Z_{cr} has a square-root branch point singularity with exponent 3/23/2.

Keywords

Cite

@article{arxiv.1406.5497,
  title  = {Critical charge of a system with one electron and five or six charged centers},
  author = {Hector Medel Cobaxin},
  journal= {arXiv preprint arXiv:1406.5497},
  year   = {2015}
}