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Pair density related to one‐electron information for the ground state of spin‐compensated two‐electron systems
Author(s) -
Amovilli C.,
March N. H.
Publication year - 2004
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.20369
Subject(s) - wave function , electron , ground state , physics , coulomb , differential (mechanical device) , quantum mechanics , harmonic oscillator , spin (aerodynamics) , atom (system on chip) , electron density , quantum , electron pair , atomic physics , computer science , thermodynamics , embedded system
The recent study by Joubert on effects of Coulomb repulsions in a many‐electron system has focused attention on an integral identity involving the pair density. This has motivated the derivation presented here of a vectorial differential form related to this integral result. Our differential identity is then illustrated explicitly by using (i) an exact ground‐state wave function for the so‐called Hookean atom having external potential energy (1/2) kr 2 , with k = 1/4, and (ii) Moshinsky's model in which both the interparticle interaction and the external potential are of harmonic type. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2005