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|Author(s):||M S. Safronova; Charlotte Fischer; Y Ralchenko;|
|Title:||Relativistic All-Order and MCHF Calculations of the 4d - 4f Energy Separation in Li I|
|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|