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Relativistic All-Order and MCHF Calculations of the 4d - 4f Energy Separation in Li I

Published

Author(s)

M S. Safronova, Charlotte F. Fischer, Y Ralchenko

Abstract

We present calculation of the 4d-4f energy separation in Li I using two advanced teqhniques in atomic structure theory, namely, relativistic all-order method and multiconfiguration Hartree-Fock (MCHF) method. The accuracy of our calculations is also investigated by conducting a third-order many-body perturbation theory (MBPT) calculation that allowed us to evaluate the importance of fourth and higher-order corrections. A large-scale MCHF calculation is performed using the active space method and the core-polarization approximation. The obtained results are shown to agree with the most accurate available experimental data.
Citation
Physical Review A (Atomic, Molecular and Optical Physics)

Keywords

energy levels, hartee-fock, neutral lithium, pertubation theory

Citation

Safronova, M. , Fischer, C. and Ralchenko, Y. (2008), Relativistic All-Order and MCHF Calculations of the 4d - 4f Energy Separation in Li I, Physical Review A (Atomic, Molecular and Optical Physics) (Accessed April 14, 2024)
Created October 16, 2008