Correlation energy of two electrons in a ball
We study the ground-statecorrelationenergyEc of two electrons of opposite spin confined within a D-dimensional ball (D≥2) of radius R. In the high-density regime, we report accurate results for the exact and restricted Hartree–Fock energy, using a Hylleraas-type expansion for the former and a simple polynomial basis set for the latter. By investigating the exact limiting correlationenergyEc⁽⁰⁾=limR→0Ec for various values of D, we test our recent conjecture [P.-F. Loos and P. M. W. Gill, J....[Show more]
|Collections||ANU Research Publications|
|Source:||Journal of Chemical Physics|
|01_Loos_Correlation_energy_of_two_2010.pdf||98.43 kB||Adobe PDF|
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