The program LOPT for least-squares optimization of energy levels

Published: 01-02-2011| Version 1 | DOI: 10.17632/zv9msvnnf7.1
Alexander Kramida


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 mat... Title of program: LOPT Catalogue Id: AEHM_v1_0 Nature of problem The least-squares energy-level optimization problem, i.e., finding a set of energy level values that best fits the given set of transition intervals. Versions of this program held in the CPC repository in Mendeley Data AEHM_v1_0; LOPT; 10.1016/j.cpc.2010.09.019 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)