Relativistic calculations of ground states of single-electron diatomic molecular ions

Autor:	D. V. Mironova, I. I. Tupitsyn
Rok vydání:	2014
Předmět:	Physics Single electron symbols.namesake Approximation error symbols Electron Atomic physics Hamiltonian (quantum mechanics) Diatomic molecule Atomic and Molecular Physics and Optics Homonuclear molecule Electronic Optical and Magnetic Materials Ion
Zdroj:	Optics and Spectroscopy. 117:351-357
ISSN:	1562-6911 0030-400X
DOI:	10.1134/s0030400x14090252
Popis:	We have performed relativistic calculations of ground-state energies for a series of single-electron homonuclear dimers A2(2Z−1)+ with nucleus charge Z = 1, 2, 10, 20, 30, 40, 50, 60, 70, 80, 90, 92, and 100 and internuclear distances R = 2/Z. The work involves the Born-Oppenheimer approximation and the single-electron two-center Dirac Hamiltonian, which describes the interaction between an electron and two immovable point charges. Analysis of the convergence process and comparison with data presented in other works for H2+ and Th2179+ dimers shows that the relative error of the obtained results is on the order of 10−11–10−12. High-accuracy values of ground-state energies for some dimers other than Z = 1 and 90 have been obtained in this work for the first time.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::aa8137ab0c7df79c1c81f80bf4b00317 https://doi.org/10.1134/s0030400x14090252 Zobrazit plný text záznamu Plný text ve formátu PDF