Abstract
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) |
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Pages (from-to) | 6837-6839 |
Number of pages | 3 |
Journal | The Journal of chemical physics |
Volume | 84 |
Issue number | 12 |
DOIs | |
State | Published - 1986 |
Externally published | Yes |
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry