English

Unorthodox dimensional interpolations for He, Li, Be atoms and hydrogen molecule

Quantum Physics 2020-08-28 v1

Abstract

We present a simple interpolation formula using dimensional limits D=1D=1 and D=D=\infty to obtain the D=3D=3 ground-state energies of atoms and molecules. For atoms, these limits are linked by first-order perturbation terms of electron-electron interactions. This unorthodox approach is illustrated by ground-states for two, three, and four electron atoms, with modest effort to obtain fairly accurate results. Also, we treat the ground-state of H2_2 over a wide range of the internuclear distance R, and compares well with the standard exact results from the Full Configuration Interaction method. Similar dimensional interpolations may be useful for complex many-body systems.

Keywords

Cite

@article{arxiv.2004.11489,
  title  = {Unorthodox dimensional interpolations for He, Li, Be atoms and hydrogen molecule},
  author = {Kumar J. B. Ghosh and Sabre Kais and Dudley R. Herschbach},
  journal= {arXiv preprint arXiv:2004.11489},
  year   = {2020}
}

Comments

29 pages, 1 figure