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Doubly, triply, and multiply excited states from a constrained optimized effective potential method
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10.1063/1.3443777
/content/aip/journal/jcp/132/20/10.1063/1.3443777
http://aip.metastore.ingenta.com/content/aip/journal/jcp/132/20/10.1063/1.3443777

Figures

Image of FIG. 1.
FIG. 1.

Comparison of the effective potentials for the ground , singly excited , and doubly excited states of He.

Tables

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Table I.

Calculated singly ES energies (hartree) of atomic systems with the different X-only methods.

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Table II.

Total energies (hartree) for doubly ESs of He at different levels of approximation.

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Table III.

Double excitations of He (in hartree). Numbers in parentheses denote the absolute percentage of error with respect to the best theoretical data (exact).

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Table IV.

Convergence of the energy (hartree) for doubly ESs at X-only level of approximation.

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Table V.

Comparison of calculated at the XC level doubly excited potential energy curves (hartree) of .

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/content/aip/journal/jcp/132/20/10.1063/1.3443777
2010-05-28
2014-04-19
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Doubly, triply, and multiply excited states from a constrained optimized effective potential method
http://aip.metastore.ingenta.com/content/aip/journal/jcp/132/20/10.1063/1.3443777
10.1063/1.3443777
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