Unorthodox Dimensional Interpolations for He, Li, Be Atoms and Hydrogen Molecule

We present a simple interpolation formula using dimensional limits D = 1 and D = ∞ to obtain the D = 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 grou...

Full description

Bibliographic Details
Main Authors: Kumar J. B. Ghosh, Sabre Kais, Dudley R. Herschbach
Format: Article
Language:English
Published: Frontiers Media S.A. 2020-08-01
Series:Frontiers in Physics
Subjects:
Online Access:https://www.frontiersin.org/article/10.3389/fphy.2020.00331/full
Description
Summary:We present a simple interpolation formula using dimensional limits D = 1 and D = ∞ to obtain the D = 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 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.
ISSN:2296-424X