Comparisons of results from parametrized configuration interaction (PCI‐80) and from hybrid density functional theory with experiments for first row transition metal compounds-Reference-Cited by-同舟云学术

Comparisons of results from parametrized configuration interaction (PCI‐80) and from hybrid density functional theory with experiments for first row transition metal compounds

Published:1996-06-15 Issue:23 Volume:104 Page:9546-9554
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Blomberg Margareta R. A.,Siegbahn Per E. M.,Svensson Mats

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.471673

Reference39 articles.

1. The Cr2 potential energy curve studied with multiconfigurational second-order perturbation theory

2. Nature of Mo-Mo and Cr-Cr Multiple Bonds: A Challenge for the Local-Density Approximation

3. PCI-X, a parametrized correlation method containing a single adjustable parameter X

4. First row benchmark tests of the parametrized configuration interaction with parameter X (PCI‐X) scheme

5. A new mixing of Hartree–Fock and local density‐functional theories

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