Aller au contenu. | Aller à la navigation

Joseph FripiatJoseph Fripiat

Chef de Travaux émérite

Tel.: +32 81 724551

Research topics:

Use of Fourier transform in the calculation of  the electronic structure of  periodic systems


Representative references:

  • J.G. Fripiat, B. Champagne, and F. Harris, The Fourier Space Restricted Hartree-Fock Method for the Electronic Structure Calculation of One-Dimensional Periodic Systems, Adv. Quantum Chem. 71, 153-194 (2015).

  • J.G. Fripiat, B. Champagne, and F. Harris, Fourier Space Uncoupled Hartree-Fock Polarizabilities of One-Dimensionally Periodic Systems. Polyethylene and Polysilane Revisited, Zeitschrift für Phys. Chem. 230, 589-632 (2016).
  • B. Champagne, V. Liégeois, J.G. Fripiat, and F. Harris, Electronic Band Structure of Helical Polyisocyanides, J. Phys. Chem. A 121, 7993-8002 (2017).