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(2011)PHYSICAL REVIEW A.83(4). Mark abstract The Faddeev random-phase approximation is a Green's function technique that makes use of Faddeev equations to couple the motion of a single electron to the two-particle-one-hole and two-hole-one-particle excitations. This method goes beyond the frequently used third-order algebraic diagrammatic construction method: all diagrams involving the exchange of phonons in the particle-hole and particle-particle channel are retained, but the phonons are now described at the level of the random-phase approximation, which includes ground-state correlations, rather than at the Tamm-Dancoff approximation level, where ground-state correlations are excluded. Previously applied to atoms, this paper presents results for small molecules at equilibrium geometry.

Please use this url to cite or link to this publication: http://hdl.handle.net/1854/LU-1222717

Autor: Matthias Degroote, Dimitri Van Neck and Carlo Barbieri

Fuente: https://biblio.ugent.be/publication/1222717


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