The program LOPT for least-squares optimization of energy levels

Kramida A.E.

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The program LOPT for least-squares optimization of energy levels

机译：程序LOPT用于能量水平的最小二乘优化

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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.

机译：本文介绍了一个程序，该程序解决了最小二乘最优化问题，该程序基于一组测得的能量间隔或这些能量级之间的跃迁波长，以及确定跃迁的Ritz波长，来找到量子力学系统的能级及其不确定性。通过求解问题的矩阵方程确定能级，并从问题的协方差矩阵确定Ritz波数的不确定性。

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《Computer physics communications》 |2011年第2期|共16页
作者
Kramida A.E.;
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正文语种 eng
中图分类计算机的应用;
关键词
Atomic energy levels; Least-squares optimization; Ritz wavelengths;

机译：原子能级最小二乘最优化里兹波长;

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The program LOPT for least-squares optimization of energy levels

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