Kramida, A.
(2011),
The program LOPT for least-squares optimization of energy levels, Computer Physics Communications, [online], https://doi.org/10.1016/j.cpc.2010.09.019, https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=904527
(Accessed October 21, 2025)
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The program LOPT for least-squares optimization of energy levels
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Abstract
The article describes a program that solves the least-squares optimization problem for finding the energy levels of a quantum-mechanical system based on a set of measured energy separations or wavelengths of transitions between those energy levels, as well as determining the Ritz wavelengths of transitions and their uncertainties. The energy levels are determined by solving the matrix equation of the problem, and the uncertainties of the Ritz wavenumbers are determined from the covariance matrix of the problem.Citation
Computer Physics Communications
Volume
182
Pub Type
Journals
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Keywords
atomic energy levels, Ritz wavelengths, least-squares optimization
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Created February 1, 2011, Updated April 7, 2024