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Calculation of electron-hole recombination probability using explicitly correlated Hartree-Fock method
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10.1063/1.3693765
/content/aip/journal/jcp/136/12/10.1063/1.3693765
http://aip.metastore.ingenta.com/content/aip/journal/jcp/136/12/10.1063/1.3693765

Figures

Image of FIG. 1.
FIG. 1.

Relative difference between that HF and R12-FCI energies as a function of the Coulomb scaling parameter.

Image of FIG. 2.
FIG. 2.

Convergence of the ground state energy as a function of number of geminal parameters.

Image of FIG. 3.
FIG. 3.

Comparison of the electron-hole recombination enhancement factor from the eh-XCHF calculation with HF and R12-FCI results.

Image of FIG. 4.
FIG. 4.

Comparison of the geminal function with the fitted exponential function and R12-FCI wavefunction. The geminal function has been scaled so that the geminal and the R12-FCI curves can be plotted in the same figure.

Tables

Generic image for table
Table I.

GTO basis used in HF and eh-XCHF calculations.

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Table II.

STO basis used in the R12-FCI calculations.

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Table III.

Optimized geminal parameters.

Generic image for table
Table IV.

Comparison of calculated ground state energy and electron-hole recombination enhancement factor from HF, R12-FCI, and eh-XCHF calculations for the parabolic quantum dot. The Hamiltonian for the dot was defined by setting k = 1/4 in Eq. (23).

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/content/aip/journal/jcp/136/12/10.1063/1.3693765
2012-03-27
2014-04-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Calculation of electron-hole recombination probability using explicitly correlated Hartree-Fock method
http://aip.metastore.ingenta.com/content/aip/journal/jcp/136/12/10.1063/1.3693765
10.1063/1.3693765
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