ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
The iterative difference dedicated configuration interaction (IDDCI) method, recently proposed for calculating excited electronic states, is tested in systems where the core-valence correlation plays an important role. The calculated ionization potential, electron affinity, and electronic transition energies of K and Rb agree within 0.1 eV with experimental values. The three lowest Σ+ potential curves of KH and RbH and the six lowest states Σg+, Σu+, and Πu of K2 are calculated with the same accuracy. © 1998 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.476587
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