The 2S Rydberg series of the lithium atom. Calculations with all-electron explicitly correlated Gaussian functions
| Autor: | Amir Bralin, Ludwik Adamowicz, Monika Stanke, Sergiy Bubin |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
Physics
Work (thermodynamics) Series (mathematics) Gaussian General Physics and Astronomy 02 engineering and technology Electron 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences 0104 chemical sciences symbols.namesake Rydberg formula symbols Physics::Atomic Physics Physical and Theoretical Chemistry Atomic physics 0210 nano-technology Lithium atom |
| Zdroj: | Chemical Physics Letters. 730:497-505 |
| ISSN: | 0009-2614 |
| Popis: | In this work we report very accurate variational calculations of the twelve lowest 2 S Rydberg states of the lithium atom performed with the finite-nuclear-mass (FNM) approach and with all-electron explicitly correlated Gaussian functions. The FNM non-relativistic variational energies of the states are augmented with the leading relativistic and QED corrections. The calculated transition energies are compared with the previous works (only eight states of the series were calculated before) and with the available experimental results. Density distributions of the electrons and the nucleus in the center-of-mass frame are also shown. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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