| Author(s): |
James S. Sims; Stanley A. Hagstrom; |
| Title: |
Hy-CI Study of the 2 doublet S Ground State of Neutral Lithium and the First Five excited doublet S States |
| Published: |
November 19, 2009 |
| Abstract: |
High precision Hylleraas-Configuration Interaction (Hy-CI) method variational calculations are reported for the 2 doublet S ground state of neutral lithium. The nonrelativistic energy is calculated to be -7.4780 6032 3451 9 hartree, demonstrating that the Hy-CI technique is capable of sub-nanohartree accuracy for three electron systems. A Hylleraas (Hy) expansion without linked products of odd powers of $r_{ij}$ gives -7.4780 6032 3452 hartree, showing the relative unimportance of such terms for lithium at the nanohartree level of accuracy. Hy-CI calculations are also reported for the 3 doublet S, 4 doublet S, 5 doublet , 6 doublet and 7 doublet S lithium excited states. |
| Citation: |
Physical Review A (Atomic, Molecular and Optical Physics) |
| Volume: |
80 |
| Pages: |
pp. 052507-1 - 052507-8 |
| Keywords: |
Hylleraas-Configuration Interaction; Hy-CI variational calculation; CI-Hy variational calculation; high precision variational calculation; lithium ground state calculation, lithium doublet S excited states |
| Research Areas: |
Atomic Structure |
| PDF version: |
 Click here to retrieve PDF version of paper (121KB) |
