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Calculation of ground- and excited-state potential energy curves for barium-rare gas complexes in a pseudopotential approach

✍ Scribed by E. Czuchaj; F. Rebentrost; H. Stoll; H. Preuss

Publisher
Springer
Year
1998
Tongue
English
Weight
254 KB
Volume
100
Category
Article
ISSN
1432-2234

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Sixteen low-lying electronx states of NaLi arc investigated by SCF/~alence CI calculations including core polarization effects by means of an effective potential. Spectroscopic constants arc obtained with estimated uncertainties of AR, G 0.01 A, awe E 0.6 cm-' and nD, < 80 cm-' \_ f-rom a comparison