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.
Faddeev random-phase approximation for molecules / M. Degroote, D. Van Neck, C. Barbieri. - In: PHYSICAL REVIEW A. - ISSN 1050-2947. - 83:4(2011), pp. 042517.1-042517.9.
|Titolo:||Faddeev random-phase approximation for molecules|
|Parole Chiave:||6-point green-function; one-particle; spurious solutions; electron; propagator; equations; systems|
|Settore Scientifico Disciplinare:||Settore FIS/03 - Fisica della Materia|
|Data di pubblicazione:||2011|
|Digital Object Identifier (DOI):||http://dx.doi.org/10.1103/PhysRevA.83.042517|
|Appare nelle tipologie:||01 - Articolo su periodico|