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Study of Local Hard−Soft Acid−Base Principle: Effects of Basis Set, Electron Correlation, and the Electron Partitioning Method

✍ Scribed by Chandrakumar, K. R. S.; Pal, Sourav

Book ID
120974667
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
132 KB
Volume
107
Category
Article
ISSN
1089-5639

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The shell structure of a selected number of atoms is studied using the average local electrostatic potential function V(r)/p(r) and Gaussian type orbitals. In addition, the influence of electron correlation on this function is discussed: these effects are shown to be small and can be neglected in co