Title of article
A new spin-polarized Colle-Salvetti-type correlation energy functional
Author/Authors
Tsuneda، نويسنده , , Takao and Hirao، نويسنده , , Kimihiko، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1997
Pages
11
From page
510
To page
520
Abstract
A new spin-polarized Colle-Salvetti-type dynamical correlation functional is proposed that treats the opposite-spin and parallel-spin correlations. The functional gives good results for total correlation energies and the spin-polarized components for the ground states of the atoms He through Ar. The correlation energies of the excited states and the ground state are well balanced in this treatment, leading to an accurate estimate of the energy difference between two states when the Hartree-Fock methods gives a good description.
Journal title
Chemical Physics Letters
Serial Year
1997
Journal title
Chemical Physics Letters
Record number
1780403
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