Title of article
Further evidence of the conjoint correction to the local kinetic and exchange energy density functionals
Author/Authors
Fuentealba، نويسنده , , P. and Reyes، نويسنده , , O.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1995
Pages
4
From page
31
To page
34
Abstract
Further evidence is shown that a kinetic energy functional can be used as an exchange energy functional and, conversely, exchange used as a kinetic energy functional, with a proper transformation of energy as a functional of the density. We have used functionals with two adjustable parameters to determine the kinetic exchange energies of the atoms from He to Ar and some diatomic molecules. The results fit the Hartree-Fock energies with remarkable accuracy.
Journal title
Chemical Physics Letters
Serial Year
1995
Journal title
Chemical Physics Letters
Record number
1772431
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