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Quantum Simulation
Quantum Chemistry
Application of the Variational R-matrix Method for the Dirac Equation to the Be Atom
arXiv
Authors: Chris H. Greene, Miguel A. Alarcón
Year
2024
Paper ID
64161
Status
Preprint
Abstract Read
~2 min
Abstract Words
86
Citations
N/A
Abstract
This paper presents an implementation of the non-iterative eigenchannel R-matrix method for the Dirac equation. It includes a brief introduction, implementation details, and results for the photoionization cross-section of the beryllium atom. Beryllium is a convenient test due to small but significant relativistic effects. The current calculation aligns with other R-matrix calculations and experiments. It observes the change in the Fano line shape of the (2pnd)1P series and, reveals a previously unnoticed coupling between triplet and singlet series observable in the ground state photoionization cross-section.
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- This paper presents an implementation of the non-iterative eigenchannel R-matrix method for the Dirac equation.
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