Laboratoire de Physique Théorique
Toulouse - UMR 5152

Chargée de Recherche CNRS (CRCN, HDR)

Contact : pina.romaniello@irsamc.ups-tlse.fr

Address : Laboratoire de Physique Théorique, IRSAMC, Université Paul Sabatier, 118 Route de Narbonne, 31062 Toulouse Cedex 4, France

Office : 332 Bâtiment 3R1B4

Phone : +33 (0)5 61 55 75 74

Fax : +33 (0)5 61 55 60 65

[vert]ORCID:[/vert] 0000-0001-8300-8320

Curriculum Vitae

Research Topics and Team

My [rouge]scientific work[/rouge] can be regrouped into two main research blocks:
• Formal developments, implementation, and applications in density functional theory (DFT)
• Formal developments, implementation, and applications in many-body perturbation theory (MBPT) based on Green’s functions

DFT and MBPT are two state-of-the-art frameworks for the description and prediction of material properties, such as photoemission, optical absorption and metal-insulator transitions. In particular I am interested in the description of strongly correlated materials, which physics is difficult to capture using standard approximations.

I currently supervise a team of one postdoc, two PhD students, and a master student.

• [vert fonce] Current team members[/vert fonce]
  
  
• Stefano Di SABATINO (Postdoc, ANR )

  After a one-year postdoc position with me and my colleague Pierre-François LOOS (LCPQ), Stefano is now working with Michel CAFFAREL (LCPQ) and myself on merging QMC with many-body perturbation theory. Stefano is also working on other side projects on strong electron correlation.





• Roberto ORLANDO (PhD, 80|PRIME)

  Roberto has just started his PhD with my colleague Pierre-François LOOS (LCPQ) and myself. He is exploring new approximations to the kernel of the Bethe-Salpeter equation, which is used in MBPT for the description of optical spectra.





• Gabriele RIVA (PhD, ANR)

  Gabriele has just started his PhD with my colleague Arjan BERGER (LCPQ) and myself. Being the one-body and the two-body Green’s functions too simple for him, he is working with the three-body Green’s function!!!

• [vert fonce]Past team members[/vert fonce]
• Emma NOGUE (M2)
• Julien PRODHON (M1)
• Jaakko Koskelo (post-doc)
• Rubén R. Ferradás (post-doc)
• Sarah Cavo (M1)
• Stefano Di Sabatino (PhD)
• Nathaniel Raimbault (PhD)
• Nicolas Victorin (L3)
• Nader Slama (M2)

Publications

• Latest publications
Assignment of excitonic insulators in ab initio theories: the case of NiBr2 Stefano Di Sabatino, Alejandro Molina-Sánchez, Pina Romaniello, Davide Sangalli, under review (arXiv:2212.11500)

Screened extended Koopmans’ theorem: photoemission at weak and strong correlation Stefano Di Sabatino, J. Koskelo, J.A. Berger, and Pina Romaniello, Phys. Rev. B 107, 035111 (2023)

DFT Exchange: Sharing Perspectives on the Workhorse of Quantum Chemistry and Materials Science A. Teale et al., accepted in Physical Chemistry Chemical Physics, 2022, DOI: 10.1039/D2CP02827A

Introducing screening in one-body density matrix functionals: Impact on charged excitations of model systems via the extended Koopmans’ theorem Stefano Di Sabatino, J. Koskelo, J.A. Berger, and Pina Romaniello, Phys. Rev. B 105, 235123 (2022)

Static and Dynamic Bethe-Salpeter Equations in the T-Matrix Approximation Pierre-François Loos and Pina Romaniello, J. Chem. Phys. 156, 164101 (2022)

Photoemission spectroscopy from the three-body Green’s function Gabriele Riva, Timothée Audinet, Matthieu Vladaj, Pina Romaniello, J. Arjan Berger, SciPost Phys. 12, 093 (2022)

• Full list of publications
• Ph.D Thesis
• HDR Thesis

• Strong correlation and nonadiabaticity in TDRDMFT: insights from a two-site Anderson impurity model; RDM2022, San Sebastian, Spain (2022)
• The N-body problem in condensed matter; GDR NBODY general meeting, Lille, France (2020)
• Photoemission Spectra beyond GW: The Band Gap in Strongly Correlated Systems; ETSF workshop on Electronic Excitations, Jena, Germany (2019)
• Correlation and Spectroscopy in Reduced Density Matrix Functional Theory; CECAM workshop `New challenges in Reduced Density Matrix Functional Theory: Symmetries, time-evolution and entanglement’’, Lausanne, Swizerland (2017)
• Photoemission spectra beyond GW: the band gap in strongly correlated systems; workshop `Quantum Many-Body Methods in Condensed Matter Systems’, Aachen, Germany (2016)
• Reduced density matrix functionl theory: correlation and spectroscopy; ICTP : total energy and force methods, Trieste, Italy (2015)
• Determination of the one-body Green’s function: freedom and constraints; 17th ETSF workshop on Electronic Excitations, Coimbra, Portugal (2012)
• Insights in the T-matrix formalism; 16th ETSF workshop on Electronic Excitations, Turin, Italy (2011)
• DFT: insight from MBPT; workshop `DFT: Fundamentals and Applications in Condensed Matter Physics’, Banff, Canada (2011)
• Beyond GW: local and nonlocal vertex corrections; workshop `From Basic Concepts to Real Materials’, Santa Barbara, USA (2009)
• Double Excitations in Finite Systems; workshop `Time-Dependent Density Functional Theory: Prospects and Applications’ , Benasque, Spain (2008)

Master/PhD projects: There are no PhD/post-doc positions currently available in my group. Please contact me if you are interested in a stage.