Title 



Differential virial theorem in densityfunctional theory in terms of the Pauli potential for spherically symmetric electron densities: Illustrative example for the family of Belike atomic ions


Author 





Abstract 



The differential virial theorem relates the force −V/r associated with the onebody potential V(r) of densityfunctional theory to the Laplacian 2n of the groundstate density n(r) and to a quantity zs(r) involving the kinetic energy density tensor t(r). Having the concept of the Pauli potential VP(r), zs is derived for spherically symmetric groundstate densities n(r) in terms of the von Weizsäcker kinetic energy density and the first derivative of VP(r). zs is related solely to the gradient kinetic energy density tG(r) for Belike atomic ions.  

Language 



English


Source (journal) 



Physical review : A : atomic, molecular and optical physics.  Lancaster, Pa, 1990  2015 

Publication 



Lancaster, Pa : 2008


ISSN 



10941622 [online]
10502947 [print]


Volume/pages 



78:4(2008), p. 044501,1044501,4


ISI 



000260574100174


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