Laboratoire de Physique Théorique
Toulouse - UMR 5152

Directrice de Recherche CNRS

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

Address : Laboratoire de Physique Théorique, FeRMI, 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

ORCID : 0000-0001-8300-8320

Curriculum Vitae

Research Topics and Team

My scientific work can be regrouped into two main research lines :
• Formal developments, implementation, and applications in (time-dependent) 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 two PhD students and one post-doc.

• Current team members
  
  
  
  
  
• Roberto ORLANDO (PhD, 80|PRIME)

  Roberto is in the last year of 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 (Post-doc, ANR)

  Gabriele has just defended his PhD under the supervision of my colleague Arjan BERGER (LCPQ) and myself. He will spend another couple of months with us to finalize his research on the the three-body Green’s function.





Stefano PAGGI (PhD, ANR)

Stefano has just joined our team for a three year PhD. He will extend the formalism derived by Gabriele for photoemission to other spectroscopies.

• Past team members
• Théodore FISCHER (M1)
• Stefano DI SABATINO (post-doc)
• 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)

Master/PhD projects : Please contact me if you would like to do an internship in my group.

Publications

• Latest publications
The multi-channel Dyson equation : coupling many-body Green’s functions Gabriele Riva, Pina Romaniello, and J. Arjan Berger, Phys. Rev. Lett. 131, 216401 (2023)

The three channels of many-body perturbation theory : GW, particle-particle, and electron-hole T-matrix self-energies Roberto Orlando, Pina Romaniello, and Pierre-François Loos, J. Chem. Phys. 159, 184113 (2023)

Exploring new exchange-correlation kernels in the Bethe-Salpeter equation : a study of the asymmetric Hubbard dimer Roberto Orlando, Pina Romaniello, and Pierre-François Loos, Adv. Quantum Chem. 88, 183 (2023)

Assignment of excitonic insulators in ab initio theories : the case of NiBr2 Stefano Di Sabatino, Alejandro Molina-Sánchez, Pina Romaniello, Davide Sangalli, Phys. Rev. B 107, 115121 (2023)(Editors’ Suggestion)

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)

• 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)