The classic problem of the dissociation energy of FH and the electron affinity of F have been studied using our recent proposed numerical orbital coupled-cluster (CC) method. With 105 orbitals, 96.6% of the correlation energy of FH is obtained, and exact agreement with the experimental dissociation energy. Similarly, the electron affinity of F is found to be 3.37 eV compared to an experimental value of 3.399 eV.
|Original language||English (US)|
|Number of pages||3|
|Journal||The Journal of Chemical Physics|
|Publication status||Published - 1986|
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics