Title 



Electronic structure of atoms, molecules, and clusters : HartreeFock and beyond
 
Author 


  
Abstract 



The 1/Z expansion will first be used to discuss the scaling properties of the groundstate energy of heavy (nonrelativistic) neutral atoms with atomic number Z. The question will be addressed as to what order in Z electron correlation first enters the expansion. The density functional theory (DFT) invoked above will be utilized then to treat, but now inevitably more approximately, the correlation energy in a variety of molecules. Finally, recent studies at HartreeFock level on almost spherical B and C cages will be reviewed. For buckminsterfullerene, the role of electron correlation will then be assessed using the Hubbard Hamiltonian, as in the study of Flocke et al.   
Language 



English
 
Source (journal) 



Advanced topics in theoretical chemical physics  
Source (book) 



4th Congress of the InternationalSocietyforTheoreticalChemicalPhysics (ICTCP 4), JUL 0916, 2002, Natl Youth Inst, Marly Le Roi, FRANCE  
Publication 



2003
 
ISBN 



140201564X
 
Volume/pages 



12(2003), p. 5370
 
ISI 



000189491400004
 
