Relativistic corrections for the ground electronic state of molecular hydrogen
Chemical Physics
2017-05-31 v1 Atomic Physics
Computational Physics
Abstract
We recalculate the leading relativistic corrections for the ground electronic state of the hydrogen molecule using variational method with explicitly correlated functions which satisfy the interelectronic cusp condition. The new computational approach allowed for the control of the numerical precision which reached about 8 significant digits. More importantly, the updated theoretical energies became discrepant with the known experimental values and we conclude that the yet unknown relativistic recoil corrections might be larger than previously anticipated.
Keywords
Cite
@article{arxiv.1704.07153,
title = {Relativistic corrections for the ground electronic state of molecular hydrogen},
author = {Mariusz Puchalski and Jacek Komasa and Krzysztof Pachucki},
journal= {arXiv preprint arXiv:1704.07153},
year = {2017}
}