Nonrelativistic energy of the ground state ofand the electron affinity of lithium
- 1 February 1976
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 13 (2) , 560-562
- https://doi.org/10.1103/physreva.13.560
Abstract
The energy results of an extensive configuration-interaction calculation of the ground state of are reported. A quantitative assessment of all sources of truncation errors leads to a nonrelativistic energy estimate of -7.5004 ± 0.0002 a.u. An calculation on the ground state of yields a rigorous upper bound to the nonrelativistic energy of -7.500 186 a.u., in excellent agreement with the estimate from the configuration-interaction calculation. Consideration of relativistic contributions to the electron affinity of Li leads to an estimate of the electron affinity of Li of 0.609 ± 0.007 eV.
Keywords
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