Green’s function methods for quantum chemistry

  • Speaker:

    Pierre-François Loos (University Toulouse)

  • Time:14:45 - 15:15

  • Abstract

     

    Pierre-François Loos

     

    University Toulouse

     

    In this talk, I will discuss our recent developments in computational chemistry methods employing the one- and two-body Green's functions (or propagators) [1,2]. In particular, new developments around the GW approximation of the one-body propagator will be presented [3-6].
    Anomalous propagators and the particle-particle channel of the Bethe-Salpeter equation formalism will also be introduced and discussed [7,8].

    [1] R. Quintero-Monsebaiz, E. Monino, A. Marie, and P. F. Loos. J. Chem. Phys. 157, 231102 (2022).

    [2] P. F. Loos and X. Blase. J. Chem. Phys. 153, 114120 (2020).

    [3] E. Monino and P. F. Loos. J. Chem. Phys. 156, 231101 (2022).

    [4] A. Marie and P. F. Loos. J. Chem. Theory Comput. 19, 3943 (2023).

    [5] R. Orlando, P. Romaniello, and P. F. Loos. J. Chem. Phys. 159, 184113 (2023).

    [6] P. F. Loos and P. Romaniello. J. Chem. Phys. 156, 164101 (2022).

    [7] A. Marie, P. Romaniello, and P. F. Loos. Phys. Rev. B (submitted) arXiv:2406.07062.
     
    [8] A. Marie, N. Mandin, P. Romaniello, X. Blase and P. F. Loos. (in preparation).