Abstract
We present improved calculations of variational energy eigenvalues for the , , and states of lithium using basis sets with up to 30 224 terms in Hylleraas coordinates. The nonrelativistic energies for infinite nuclear mass are a.u. for , a.u. for , and a.u. for , which represent the most accurate variational upper bounds to date. An important advantage of the basis sets with multiple distance scales is their exceptional numerical stability.
- Received 31 December 2010
DOI:https://doi.org/10.1103/PhysRevA.83.034503
©2011 American Physical Society