Born-Oppenheimer potentials for $\Pi$, $\Delta$, and $\Phi$ states of the hydrogen molecule

Autor:	Siłkowski, Michał, Pachucki, Krzysztof
Rok vydání:	2022
Předmět:	Physics - Atomic Physics Physics - Chemical Physics
Druh dokumentu:	Working Paper
DOI:	10.1080/00268976.2022.2062471
Popis:	We report on accurate variational calculations of the Born-Oppenheimer potential for excited states of the hydrogen molecule with $\Pi$, $\Delta$, and $\Phi$ symmetries. The obtained potential energy curves reach the relative precision of $10^{-9}$ or better along internuclear distances of 0.01 -- 20 au. Calculations rely on recursive evaluation of two-center two-electron molecular integrals with exponential functions in arbitrary precision arithmetics. Our results for most of the states are the first ever reported, and for the previously calculated states constitute an improvement by several orders of magnitude. Comment: 14 pages, 4 figures, 3 tables, submitted to Molecular Physics
Databáze:	arXiv
Externí odkaz:	http://arxiv.org/abs/2203.12080 Zobrazit plný text záznamu View this record from Arxiv