Improved calculation of the electron affinity of He
- 1 November 1984
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 30 (5) , 2179-2182
- https://doi.org/10.1103/physreva.30.2179
Abstract
Large-scale optimization of nonlinear parameters and tighter error-bound estimates yield an accurate value, a.u. () for the nonrelativistic energy of , in agreement with a previous result of -2.1780740(100). Using Chung's recent calculation of relativistic and mass-polarization effects, an electron affinity meV is obtained. The calculation and significance of error bars in electronic structure calculations is discussed.
Keywords
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