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Local correlation potentials from Brueckner coupled-cluster theory
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10.1063/1.1947167
/content/aip/journal/jcp/122/24/10.1063/1.1947167
http://aip.metastore.ingenta.com/content/aip/journal/jcp/122/24/10.1063/1.1947167

Figures

Image of FIG. 1.
FIG. 1.

Diagrammatical representation of the Brueckner correlation potential in the Brueckner coupled-cluster doubles (BCCD) method.

Image of FIG. 2.
FIG. 2.

Brueckner correlation potential as the sum of its components and for the helium atom.

Image of FIG. 3.
FIG. 3.

Brueckner correlation potential as the sum of its components and for the neon atom.

Image of FIG. 4.
FIG. 4.

Brueckner correlation potential as the sum of its components and for the argon atom.

Image of FIG. 5.
FIG. 5.

Brueckner correlation potential as the sum of its components and for the CO molecule along the molecular axis. The solid vertical lines denote the positions of the carbon atom (at ) and the oxygen atom (at ).

Image of FIG. 6.
FIG. 6.

Comparison between the Brueckner correlation potential and the exact correlation potential for the helium atom.

Tables

Generic image for table
Table I.

Deviations from one of the overlap between the Hartree–Fock (HF), the Brueckner (BO), and the Brueckner Kohn–Sham (KS) determinants.

Generic image for table
Table II.

First-order expectation values and HOMO orbital energies for the Brueckner (BO) and the Brueckner Kohn–Sham (KS) determinants. All values are in a.u.

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/content/aip/journal/jcp/122/24/10.1063/1.1947167
2005-06-30
2014-04-16
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Local correlation potentials from Brueckner coupled-cluster theory
http://aip.metastore.ingenta.com/content/aip/journal/jcp/122/24/10.1063/1.1947167
10.1063/1.1947167
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