Rice Univesrity Logo
    • FAQ
    • Deposit your work
    • Login
    View Item 
    •   Rice Scholarship Home
    • Faculty & Staff Research
    • Faculty Publications
    • View Item
    •   Rice Scholarship Home
    • Faculty & Staff Research
    • Faculty Publications
    • View Item
    JavaScript is disabled for your browser. Some features of this site may not work without it.

    Particle-particle and quasiparticle random phase approximations: Connections to coupled cluster theory

    Thumbnail
    Name:
    random-phase-approximations.pdf
    Size:
    1.119Mb
    Format:
    PDF
    View/Open
    Author
    Scuseria, Gustavo E.; Henderson, Thomas M.; Bulik, Ireneusz W.
    Date
    2013
    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.
    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.
    Published Version
    https://doi.org/10.1063/1.4820557
    Type
    Journal article
    Publisher
    American Institute of Physics
    Citable link to this page
    https://hdl.handle.net/1911/94165
    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.
    Metadata
    Show full item record
    Collections
    • Chemistry Publications [635]
    • Faculty Publications [4976]
    • Physics and Astronomy Publications [1769]

    Home | FAQ | Contact Us | Privacy Notice | Accessibility Statement
    Managed by the Digital Scholarship Services at Fondren Library, Rice University
    Physical Address: 6100 Main Street, Houston, Texas 77005
    Mailing Address: MS-44, P.O.BOX 1892, Houston, Texas 77251-1892
    Site Map

     

    Searching scope

    Browse

    Entire ArchiveCommunities & CollectionsBy Issue DateAuthorsTitlesSubjectsTypeThis CollectionBy Issue DateAuthorsTitlesSubjectsType

    My Account

    Login

    Statistics

    View Usage Statistics

    Home | FAQ | Contact Us | Privacy Notice | Accessibility Statement
    Managed by the Digital Scholarship Services at Fondren Library, Rice University
    Physical Address: 6100 Main Street, Houston, Texas 77005
    Mailing Address: MS-44, P.O.BOX 1892, Houston, Texas 77251-1892
    Site Map