Article ID Journal Published Year Pages File Type
5384476 Chemical Physics Letters 2011 4 Pages PDF
Abstract
► Double ionization energies for HCl, HBr, Cl2 and Br2 are calculated using CASSCF/MRCI. ► Agreement with experimental data is achieved with absolute average deviations lower than 0.3 eV. ► Some double ionization energies not previously assigned are discussed.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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