Digitale Medien
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
84 (1986), S. 5007-5012
ISSN:
1089-7690
Quelle:
AIP Digital Archive
Thema:
Physik
,
Chemie und Pharmazie
Notizen:
Pseudopotential configuration interaction (CI) calculations using large basis sets have been performed for all homonuclear and heteronuclear alkali dimers XY (X,Y=Li to Cs). Results are given for ground-state spectroscopic constants. The maximum deviations from accurate experimental data are 0.03 A(ring) for Re, 0.02 eV for De, 4 cm−1 for ωe, 0.02 eV for ionization energies, and 0.1 D for dipole moments. Predictions are made for a number of experimentally uncertain or unknown values.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1063/1.450649
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