Title 



Weizsacker inhomogeneity kinetic energy term for the inhomogeneous electron liquid characterising some 30 homonuclear diatomic molecules at equilibrium and insight into Teller's theorem in ThomasFermi statistical theory
 
Author 



 
Abstract 



A natural orbital functional theory for nonrelativistic quantum chemistry due to one of us [MP] is here utilised to calculate the von Weizsacker inhomogeneity kinetic energy at the equilibrium bond length (Re) for some 30 homonuclear diatomic molecules. Tw/N2, where N is the total number of electrons in the molecule considered, behaves remarkably simply and tends to a value very near to 1/2 for the Ge2 molecule when N=64. This is in spite of the irregular variation of Re with N, which is inputted here from the experiment. It is then proposed that the dissociation energy De should be a functional of Tw to be sought. A start is made via the > power law proposed earlier by one of us [NHM].   
Language 



English
 
Source (journal) 



Physics and chemistry of liquids.  London  
Publication 



London : 2014
 
ISSN 



00319104
 
Volume/pages 



52:6(2014), p. 804814
 
ISI 



000342843700011
 
Full text (Publishers DOI) 


  
