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:

  • F.E. Harris, J.G. Fripiat, Methods for incomplete Bessel function evaluation, Int. J. Quantum Chem. 109, 1728, (2009).
  • J.G. Fripiat, J. Delhalle, I. Flamant, F.E. Harris, Ewald-type formulas for gaussian-basis Bloch states in one-dimensionally periodic systems, J. Chem. Phys. 132, 044108 (2010).
  • 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).