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dc.contributor.authorScuseria, Gustavo E.
Henderson, Thomas M.
Bulik, Ireneusz W.
dc.date.accessioned 2017-05-04T18:16:35Z
dc.date.available 2017-05-04T18:16:35Z
dc.date.issued 2013
dc.identifier.citation Scuseria, Gustavo E., Henderson, Thomas M. and Bulik, Ireneusz W.. "Particle-particle and quasiparticle random phase approximations: Connections to coupled cluster theory." The Journal of Chemical Physics, 139, no. 10 (2013) American Institute of Physics: https://doi.org/10.1063/1.4820557.
dc.identifier.urihttps://hdl.handle.net/1911/94165
dc.description.abstract We establish a formal connection between the particle-particle (pp) random phase approximation (RPA) and the ladder channel of the coupled cluster doubles (CCD) equations. The relationship between RPA and CCD is best understood within a Bogoliubov quasiparticle (qp) RPA formalism. This work is a follow-up to our previous formal proof on the connection between particle-hole (ph) RPA and ring-CCD. Whereas RPA is a quasibosonic approximation, CC theory is a “correct bosonization” in the sense that the wavefunction and Hilbert space are exactly fermionic, yet the amplitude equations can be interpreted as adding different quasibosonic RPA channels together. Coupled cluster theory achieves this goal by interacting the ph (ring) and pp (ladder) diagrams via a third channel that we here call “crossed-ring” whose presence allows for full fermionic antisymmetry. Additionally, coupled cluster incorporates what we call “mosaic” terms which can be absorbed into defining a new effective one-body Hamiltonian. The inclusion of these mosaic terms seems to be quite important. The pp-RPA and qp-RPA equations are textbook material in nuclear structure physics but are largely unknown in quantum chemistry, where particle number fluctuations and Bogoliubov determinants are rarely used. We believe that the ideas and connections discussed in this paper may help design improved ways of incorporating RPA correlation into density functionals based on a CC perspective.
dc.language.iso eng
dc.publisher American Institute of Physics
dc.rights Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.
dc.title Particle-particle and quasiparticle random phase approximations: Connections to coupled cluster theory
dc.type Journal article
dc.citation.journalTitle The Journal of Chemical Physics
dc.citation.volumeNumber 139
dc.citation.issueNumber 10
dc.type.dcmi Text
dc.identifier.doihttps://doi.org/10.1063/1.4820557
dc.identifier.pmid 24050334
dc.type.publication publisher version
dc.citation.articleNumber 104113


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