ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
The Fock-space coupled-cluster method with single and double excitations (CCSD or SUB2) is applied to the calculation of the electron affinities of all five halogen elements, F–At. Excellent agreement with experiment is obtained, the average error being 0.04 eV. The inclusion of triple excitations for F and Cl spoils the agreement. Comparison with other methods is made.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.465820