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Double excitations from modified Hartree Fock subsequent minimization scheme
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10.1063/1.4797466
/content/aip/journal/jcp/138/12/10.1063/1.4797466
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/12/10.1063/1.4797466
View: Tables

Tables

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Table I.

Excitation energies in hartree for the doubly excited states.

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Table II.

Energies in hartree of the doubly excited state, , of H2 and corresponding excitation energies from the ground state.

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Table III.

Geometry of 1,3-butadiene and trans-1,3,5-hexatriene.

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Table IV.

Excitation energies in hartree from the ground state for the doubly excited state, 21A g , of the 1,3-butadiene and trans-1,3,5-hexatriene.

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Table V.

Number of self-consistent field iterations needed for energy convergence.

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/content/aip/journal/jcp/138/12/10.1063/1.4797466
2013-03-27
2014-04-25
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Double excitations from modified Hartree Fock subsequent minimization scheme
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/12/10.1063/1.4797466
10.1063/1.4797466
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