HDR de Pierre-Francois Loos (LCPQ), janvier 2018


Titre : A Curvy View on Electronic Correlation

Résumé
During this HDR defence, I will summarise some of the projects we have been working on in the last ten years. First, I will describe succinctly several studies we have been doing on model two-electron systems [1, 2]. In particular, we introduced a novel class a quasi-exactly solvable systems, shedding new lights on the universality of correlation effects in two-electrons systems [3]. Second, I will present the work we performed on the mathematical properties of a new family of uniform electron gases as well as the development of a new class of density functionals based on this new paradigm [4,5]. Third, new recurrence relations for three- and four-electron integrals as well as their fundamental integrals and upper bounds will be discussed [6]. In particular, our strategy to bound rigorously and efficiently these many-electron integrals is presented [7]. Thisnew way of calculating many-electron integrals represents an interesting alternative to what is currently done in explicitly-correlated methods. Finally, I will present the lines of research we have been pursuing more recently.
References
  • [1] P. F. Loos and P. M. W. Gill. Phys. Rev. Lett., 103:123008, 2009.
  • [2] P. F. Loos and P. M. W. Gill. Phys. Rev. Lett., 108:083002, 2012.
  • [3] P. F. Loos and P. M. W. Gill. Phys. Rev. Lett., 105:113001, 2010.
  • [4] P. F. Loos and P. M. W. Gill. J. Chem. Phys., 135:214111, 2011.
  • [5] P. F. Loos. J. Chem. Phys., 146:114108, 2017.
  • [6] G. M. J. Barca, P. F. Loos, and P. M. W. Gill. J. Chem. Theory Comput., 12:1725, 2016.
  • [7] G. M. J. Barca and P. F. Loos. J. Chem. Phys., 147:024103, 2017.

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