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On the nature of atomic shell approximation (ASA) electrostatic molecular potentials (EMP)

✍ Scribed by Ramon Carbó-Dorca; Emili Besalú

Book ID
113071692
Publisher
Springer
Year
2011
Tongue
English
Weight
196 KB
Volume
50
Category
Article
ISSN
0259-9791

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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