Skip to main content
U.S. flag

An official website of the United States government

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.

Large-scale MCHF Calculation of the Li I 4d-4f Energy Separation

Published

Author(s)

Yuri Ralchenko, Charlotte Fischer

Abstract

The calculational methods in atomic structure are currently capable of providing the level of accuracy close to that of the most precise experiments. The multiconfiguration Hartree-Fock method is applied to calculation of the 4d--4f energy difference in Li I using two ab initio approximations, namely, the active space method and the core-polarization approximation. The latter method is shown to agree with the most accurate available experimental data.
Citation
Physical Review A (Atomic, Molecular and Optical Physics)
Volume
76
Issue
5

Keywords

active space method, atomic structure, core polarization, Li I, MCHF method

Citation

Ralchenko, Y. and Fischer, C. (2007), Large-scale MCHF Calculation of the Li I 4d-4f Energy Separation, Physical Review A (Atomic, Molecular and Optical Physics) (Accessed April 12, 2024)
Created November 1, 2007, Updated February 19, 2017