Journal
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
Volume 110, Issue 12, Pages 2117-2120Publisher
WILEY-BLACKWELL
DOI: 10.1002/qua.22497
Keywords
Density functional theory; Pauli potential; differential virial theorem
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Recently, a first-order differential equation for the functional derivative of the kinetic energy functional is derived for spherically symmetric systems using the differential virial theorem of Nagy and March. Here, a more general first-order differential equation for the Pauli potential (valid not only for spherically symmetric systems) is derived by applying the differential virial theorem of Holas and March. The solution of the equation can be given by quantities capable of fully determining every property of a Coulomb system. (C) 2010 Wiley Periodicals, Inc. Int J Quantum Chem 110: 2117-2120, 2010
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