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 14, 2024)
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.
The program LOPT for least-squares optimization of energy levels
Published
Author(s)
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
Download Paper
Keywords
atomic energy levels, Ritz wavelengths, least-squares optimization
Citation
Issues
If you have any questions about this publication or are having problems accessing it, please contact reflib@nist.gov.
Created February 1, 2011, Updated April 7, 2024