Pauli potential in terms of kinetic energy density and electron density in the leading Coulombic term of the nonrelativistic 1/Z expansion of spherical atomic ions
Faculty of Sciences. Physics

article

2010
Lancaster, Pa
, 2010

Physics

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

81(2010)
:1
, p. 014502-1-014502-2

1094-1622

1050-2947

000274001500164

E

English (eng)

University of Antwerp

The Pauli potential VP in density functional theory is known to be the difference between the functional derivative of the single-particle kinetic energy Ts[n] with respect to the electron density n and its von Weizsäcker counterpart. For the leading Coulombic term in the 1/Z expansion for spherical atomic ions, VP[n] is written in terms of the kinetic energy density plus n(r) and its low-order derivatives. For comparison, the example of an arbitrary number of closed shells with purely harmonic confinement is also treated.

https://repository.uantwerpen.be/docman/irua/eacecc/96d441c8.pdf

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