Abstract
Ab initio calculations have been made for the ground states of neutral B and using configuration-interaction wave functions which included the Hartree-Fock configuration, single excitations, and double excitations of the types (), (), (), and (). These calculations indicate that is stable and that the electron affinity of B is 0.0028 Hartrees (0.08 eV). Contributions from the omitted types of correlations were investigated by making separate-pair calculations for the () and () pairs. These contributions do not affect the qualitative conclusions. Consideration of the probable errors in the calculations leads to the definite conclusion that is stable and to an estimate of 0.25 eV for the electron affinity of boron.
- Received 8 January 1968
DOI:https://doi.org/10.1103/PhysRev.170.108
©1968 American Physical Society