Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

Computer Physics Communications

Faddeev Random Phase Approximation for molecules

Matthias Degroote, Dimitri Van Neck, C. Barbieri

Published Oct 29, 2010• 3 citations
Publisher
DOI
10.1016/j.cpc.2010.10.024

Related papers

Faddeev random phase approximation and the self-energy in finite systems

WORLD SCIENTIFIC eBooks•Oct 13, 2025•0 citations

Static correlation in the Faddeev random phase approximation

Matthias Degroote

•Jan 1, 2011•0 citations

Accuracy of the Faddeev random phase approximation for light atoms

C. Barbieri, Dimitri Van Neck, Matthias Degroote

The accuracy of the Faddeev random phase approximation (FRPA) method is tested by evaluating total and ionization energies in the basis-set limit. A set of light atoms up to Ar is considered. Comparisons are made with the results of coupled-cluster singles and doubles (CCSD), with 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 overcorrelate the ground state. The FRPA becomes progressively better for larger atomic numbers, where it gives $\ensuremath{\approx}$5 mH more correlation energy, and it shifts ionization potentials by 2--10 mH with respect to the similar ADC(3) method. The ionization potentials from FRPA tend to reduce the discrepancies with the experiment.

arXiv:1004.2607•Physical Review A•Jan 3, 2012•8 citations

Quasiparticles in neon using the Faddeev random-phase approximation

C. Barbieri, Dimitri Van Neck, Willem H Dickhoff

The spectral function of the closed-shell neon atom is computed by expanding the electron self-energy through a set of Faddeev equations. This method describes the coupling of single-particle degrees of freedom with correlated two-electron, two-hole, and electron-hole pairs. The excitation spectra are obtained using the random-phase approximation (RPA), rather than the Tamm-Dancoff framework employed in the third-order algebraic diagrammatic construction method. The difference between these two approaches is studied, as well as the interplay between ladder and ring diagrams in the self-energy. Satisfactory results are obtained for the ionization energies as well as the energy of the ground state with the Faddeev RPA scheme, which is also appropriate for the high-density electron gas.

arXiv:0704.1542•Physical Review A•Nov 6, 2007•47 citations

An extension of the random phase approximation

João da Providência

Nuclear Physics A•Feb 1, 1968•43 citations

Self-Consistent Random Phase Approximation

Daniel R. Rohr, Maria Hellgren, Eberhard K. U. Gross

Bulletin of the American Physical Society•Feb 29, 2012•0 citations
The accuracy of the Faddeev random phase approximation (FRPA) method is tested by evaluating total and ionization energies in the basis-set limit. A set of light atoms up to Ar is considered. Comparisons are made with the results of coupled-cluster singles and doubles (CCSD), with third-order algebraic diagrammatic construction [ADC(3)], and with the experiment. It is seen that even for two-electron systems, He and Be2+{}^{2+}2+, the inclusion of RPA effects leads to satisfactory results, and therefore it does not overcorrelate the ground state. The FRPA becomes progressively better for larger atomic numbers, where it gives $\ensuremath{\approx}$5 mH more correlation energy, and it shifts ionization potentials by 2--10 mH with respect to the similar ADC(3) method. The ionization potentials from FRPA tend to reduce the discrepancies with the experiment.
The spectral function of the closed-shell neon atom is computed by expanding the electron self-energy through a set of Faddeev equations. This method describes the coupling of single-particle degrees of freedom with correlated two-electron, two-hole, and electron-hole pairs. The excitation spectra are obtained using the random-phase approximation (RPA), rather than the Tamm-Dancoff framework employed in the third-order algebraic diagrammatic construction method. The difference between these two approaches is studied, as well as the interplay between ladder and ring diagrams in the self-energy. Satisfactory results are obtained for the ionization energies as well as the energy of the ground state with the Faddeev RPA scheme, which is also appropriate for the high-density electron gas.