University of Surrey

Test tubes in the lab Research in the ATI Dance Research

Accuracy of the Faddeev random phase approximation for light atoms

Barbieri, C, Van Neck, D and Degroote, M (2012) Accuracy of the Faddeev random phase approximation for light atoms Physical Review A (Atomic, Molecular and Optical Physics), 85 (1), 012501.

PhysRevA_85_012501.pdf - Version of Record
Available under License : See the attached licence file.

Download (274kB)
Text (licence)

Download (33kB)


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+, 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 ≈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.

Item Type: Article
Divisions : Faculty of Engineering and Physical Sciences > Physics
Authors :
Barbieri, C
Van Neck, D
Degroote, M
Date : 3 January 2012
DOI : 10.1103/PhysRevA.85.012501
Additional Information : Copyright 2012 American Physical Society.
Depositing User : Symplectic Elements
Date Deposited : 25 Jan 2012 10:05
Last Modified : 31 Oct 2017 14:19

Actions (login required)

View Item View Item


Downloads per month over past year

Information about this web site

© The University of Surrey, Guildford, Surrey, GU2 7XH, United Kingdom.
+44 (0)1483 300800