A note about the ground state of the ${\rm H}_3^+$ hydrogen molecular ion
Abstract
Three simple parametric trial functions for the molecular ion are presented. Each of them provides subsequently the most accurate approximation for the Born-Oppenheimer ground state energy among several-parametric trial functions. These trial functions are chosen following a criterion of physical adequacy and includes the electronic correlation in the exponential form , where is a variational parameter. The Born-Oppenheimer energy is found to be \,a.u., respectively, for optimal equilateral triangular configuration of protons with the equilibrium interproton distance \,a.u. The variational energy agrees in three significant digits (s.d.) with most accurate results available at present as well as for major expectation values.
Keywords
Cite
@article{arxiv.1105.5435,
title = {A note about the ground state of the ${\rm H}_3^+$ hydrogen molecular ion},
author = {J. C. Lopez Vieyra and A. V. Turbiner and H. Medel Cobaxin},
journal= {arXiv preprint arXiv:1105.5435},
year = {2015}
}
Comments
12 pages, 1 figure, 3 tables