TY - JOUR UR - http://lib.ugent.be/catalog/pug01:3223276 ID - pug01:3223276 LA - eng TI - Faddeev random phase approximation applied to molecules PY - 2013 JO - (2013) EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS SN - 1951-6355 PB - 2013 AU - Degroote, Matthias 002003223283 802000455734 AB - The Faddeev Random Phase Approximation (FRPA) is a Green’s function method which couples collective degrees of freedom to the single particle motion by resumming an infinite number of Feynman diagrams. The Faddeev technique is applied to describe the two-particle-one-hole (2p1h) and two-hole-one-particle (2h1p) Green’s function in terms of non-interacting propagators and kernels for the particle-particle (pp) and particle-hole (ph) interactions. This results in an equal treatment of the intermediary pp and ph channels. In FRPA both the pp and ph phonons are calculated on the random phase approximation (RPA) level. In this work the equations that lead to the FRPA eigenvalue problem are derived. The method is then applied to atoms, small molecules and the Hubbard model, for which the ground state energy and the ionization energies are calculated. Special attention is directed to the RPA instability in the dissociation limit of diatomic molecules and in the Hubbard model. Several solutions are proposed to overcome this problem. ER -Download RIS file
00000nam^a2200301^i^4500 | |||
001 | 3223276 | ||
005 | 20180813142323.0 | ||
008 | 130523s2013------------------------eng-- | ||
022 | a 1951-6355 | ||
024 | a 000316066100001 2 wos | ||
024 | a 1854/LU-3223276 2 handle | ||
024 | a 10.1140/epjst/e2013-01772-8 2 doi | ||
040 | a UGent | ||
245 | a Faddeev random phase approximation applied to molecules | ||
260 | c 2013 | ||
520 | a The Faddeev Random Phase Approximation (FRPA) is a Green’s function method which couples collective degrees of freedom to the single particle motion by resumming an infinite number of Feynman diagrams. The Faddeev technique is applied to describe the two-particle-one-hole (2p1h) and two-hole-one-particle (2h1p) Green’s function in terms of non-interacting propagators and kernels for the particle-particle (pp) and particle-hole (ph) interactions. This results in an equal treatment of the intermediary pp and ph channels. In FRPA both the pp and ph phonons are calculated on the random phase approximation (RPA) level. In this work the equations that lead to the FRPA eigenvalue problem are derived. The method is then applied to atoms, small molecules and the Hubbard model, for which the ground state energy and the ionization energies are calculated. Special attention is directed to the RPA instability in the dissociation limit of diatomic molecules and in the Hubbard model. Several solutions are proposed to overcome this problem. | ||
598 | a A1 | ||
100 | a Degroote, Matthias 0 002003223283 0 802000455734 0 971500843109 | ||
650 | a Physics and Astronomy | ||
653 | a Faddeev | ||
653 | a FRPA | ||
653 | a random phase approximation | ||
653 | a Green's functions | ||
653 | a RPA | ||
653 | a faddeev random phase approximation | ||
653 | a TDA | ||
653 | a Tamm-Dancoff approximation | ||
773 | t EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS g Eur. Phys. J.-Spec. Top. 2013. 218 (1) p.1-70 q 218:1<1 | ||
856 | 3 Full Text u https://biblio.ugent.be/publication/3223276/file/3223277 z [ugent] y st218001.pdf | ||
920 | a article | ||
852 | x WE b WE05 | ||
922 | a UGENT-WE |
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