Nonrelativistic expansions of Dirac-Coulomb energy and first order relativistic Breit potential corrections for light Atomic and molecular systems
Abstract
The nonrelativistic expansion method is applied to the Dirac-Coulomb energy and first order relativistic Breit potential corrections for light atomic and molecular systems to derive high-order effective energy correction operators for few-body systems. It is found that effective operators at the mα8 order contain incompletely separable divergences. These divergences must be canceled jointly with divergences arising from second- and third-order perturbations of lower-order energy correction operators, and such cancellation can be accomplished automatically by the nonrelativistic numerical expansion approach. Using Gaussian basis sets, we numerically compute contributions to the Dirac-Coulomb energy and relativistic Breit potential corrections up to order mα8 for the ground states of the hydrogen atom, hydrogen molecular ion, helium atom, and hydrogen molecule. These results confirm the reliability of the present method and enable its extension to more complex systems.
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BibTeX
@misc{zhou2026nonrelativistic,
title = {{Nonrelativistic expansions of Dirac-Coulomb energy and first order relativistic Breit potential corrections for light Atomic and molecular systems}},
author = {Wanping Zhou and Sanjiang Yang and Chen Tong},
howpublished = {arXiv},
year = {2026},
month = sep,
doi = {10.48550/arxiv.2609.40256},
eprint = {2609.40256},
archivePrefix = {arXiv},
url = {https://arxiv.org/abs/2609.40256},
}
RIS
TY - UNPB
TI - Nonrelativistic expansions of Dirac-Coulomb energy and first order relativistic Breit potential corrections for light Atomic and molecular systems
AU - Wanping Zhou
AU - Sanjiang Yang
AU - Chen Tong
PY - 2026
DA - 2026/09/30
PB - arXiv
DO - 10.48550/arxiv.2609.40256
UR - https://arxiv.org/abs/2609.40256
AB - The nonrelativistic expansion method is applied to the Dirac-Coulomb energy and first order relativistic Breit potential corrections for light atomic and molecular systems to derive high-order effective energy correction operators for few-body systems. It is found that effective operators at the mα^8 order contain incompletely separable divergences. These divergences must be canceled jointly with divergences arising from second- and third-order perturbations of lower-order energy correction operators, and such cancellation can be accomplished automatically by the nonrelativistic numerical expansion approach. Using Gaussian basis sets, we numerically compute contributions to the Dirac-Coulomb energy and relativistic Breit potential corrections up to order mα^8 for the ground states of the hydrogen atom, hydrogen molecular ion, helium atom, and hydrogen molecule. These results confirm the reliability of the present method and enable its extension to more complex systems.
ER -