Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions

  title={Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions},
  author={Ricky A. Kendall and Thom H. Dunning and Robert J. Harrison},
  journal={Journal of Chemical Physics},
The calculation of accurate electron affinities (EAs) of atomic or molecular species is one of the most challenging tasks in quantum chemistry. We describe a reliable procedure for calculating the electron affinity of an atom and present results for hydrogen, boron, carbon, oxygen, and fluorine (hydrogen is included for completeness). This procedure involves the use of the recently proposed correlation‐consistent basis sets augmented with functions to describe the more diffuse character of the… 

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