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A comparative study of vibrational SCF and CI wavefunctions and expectation values

โœ Scribed by Harrell Sellers


Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
826 KB
Volume
92
Category
Article
ISSN
0022-2860

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๐Ÿ“œ SIMILAR VOLUMES


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The geometrical parameters for SnX, (X = Cl, Br, 1) and SnXl have been optimized at the SCF and CI levels using non-empirical pseudopotentials and a basis set of double-zeta plus polarization quality. For the neutral molecules the geometrical parameters are in agreement with the experimental values,

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