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cond-mat.other2006★ 3 cited
Dipole moments from atomic-number-dependent potentials in analytic density-functional theory
Brett I. Dunlap, Shashi P. Karna, Rajendra R. Zope +1
Molecular dipole moments of analytic density-functional theory are investigated. The effect of element-dependent exchange potentials on these moments are examined by comparison wit…
cond-mat.other2004
Slater's exchange paramters for analytic and variational xalpha calculations
Rajendra R. Zope, Brett I. Dunlap
We treat the local exchange parameter, alpha, of the Slater's Xalpha method as a fitting parameter and determine its value by constraining some physical quantity obtained from the…