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Alkali dimers ground-state calculations using pseudopotentials

✍ Scribed by D. Maynau; J.J. Daudey

Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
602 KB
Volume
81
Category
Article
ISSN
0009-2614

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✦ Synopsis

Ground-state calculations for alkali dimers XY (X, Y = LI, Na, K) are performed using a pseudopotential method The pseudopotential parameters are derived from atomic ab initio Hartree-Fock c&ulations The influence of basis set size upon the results is underlined_ Comparison with all-electron calculations using valence basrs sets of the same quality shows the good performance of the present pseudopotential method.

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