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arxiv: 1004.2607 · v1 · pith:E73DHFNUnew · submitted 2010-04-15 · ⚛️ physics.chem-ph · nucl-th

Accuracy of the Faddeev Random Phase Approximation for Light Atoms

classification ⚛️ physics.chem-ph nucl-th
keywords ionizationaccuracyapproximationatomsexperimentfaddeevfrpalight
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The accuracy of the Faddeev random phase approximation (FRPA) method is tested by calculating the total and ionization energies of a set of light atoms up to Ar. Comparisons are made with the results of coupled-cluster singles and doubles (CCSD), third-order algebraic diagrammatic construction [ADC(3)], and with the experiment. It is seen that even for two-electron systems, He and Be-2+, the inclusion of RPA effects leads to satisfactory results and therefore it does not over-correlate the ground state. The FRPA becomes progressively better for larger atomic numbers where it gives about 5 mH more correlation energy and it shifts ionization potentials by 2-10 mH, with respect to its sister method ADC(3). The corrections for ionization potentials consistently reduce the discrepancies with the experiment.

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