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Relativistic Effects on the Topology of the Electron Density

✍ Scribed by Eickerling, Georg; Mastalerz, Remigius; Herz, Verena; Scherer, Wolfgang; Himmel, Hans-Jörg; Reiher, Markus


Book ID
120312478
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
838 KB
Volume
3
Category
Article
ISSN
1549-9618

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The topological properties of the electron density and the properties of a n atom in a molecule are calculated by means of second-order Mgller-Plesset perturbation theory (MP2) and compared with the results of configuration interaction calculations (CI2) which include all single and double substitut