Floaing spherical gaussian orbital (FSGO) studies with a model potential: Some alkali halides |
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Authors: | SP Mehandru NK Ray |
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Institution: | Department of Chemistry, University of Delhi, Delhi 110007, India |
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Abstract: | A gaussian based model potential is used in the framework of the FSGO approach to study the equilibrium geometries, force constants and charge distributions of some alkali halides (LiF, LiCl, NaF, NaCl, KF and KCl). The predicted results are in good agreement with the available experimental data and the results of other ab-initio studies. |
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