Publications of Nathaniel Raimbault

Raimbault, N.; Grisafi, A.; Ceriotti, M.; Rossi, M.: Using Gaussian Process Regression to Simulate the Vibrational Raman Spectra of Molecular Crystals. New Journal of Physics 21 (10), 105001 (2019)

Raimbault, N.; Athavale, V.; Rossi, M.: Anharmonic effects in the low-frequency vibrational modes of aspirin and paracetamol crystals. Physical Review Materials 3 (05), 053605 (2019)

Shang, H.; Raimbault, N.; Rinke, P.; Scheffler, M.; Rossi, M.; Carbogno, C.: All-electron, real-space perturbation theory for homogeneous electric fields: theory, implementation, and application within DFT. New Journal of Physics 20 (7), 073040 (2018)

Raimbault, N.: Anharmonic Raman Spectra of Molecular Crystals from DFPT. FHI-aims Developers' and Users' Meeting, Electronic Structure Theory with Numeric Atom-Centered Basis Functions, Munich, Germany (2018)