Publications of Nathaniel Raimbault

Journal Article (3)

2019
Journal Article
Raimbault, Nathaniel, Vishikh Athavale and Mariana Rossi: Anharmonic effects in the low-frequency vibrational modes of aspirin and paracetamol crystals.
MPG.PuRe
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Journal Article
Raimbault, Nathaniel, Andrea Grisafi, Michele Ceriotti and Mariana Rossi: Using Gaussian Process Regression to Simulate the Vibrational Raman Spectra of Molecular Crystals.
MPG.PuRe
DOI
pre-print
publisher-version
2018
Journal Article
Shang, Honghui, Nathaniel Raimbault, Patrick Rinke, Matthias Scheffler, Mariana Rossi and Christian Carbogno: All-electron, real-space perturbation theory for homogeneous electric fields: theory, implementation, and application within DFT.
MPG.PuRe
DOI
publisher-version

Talk (1)

2018
Talk
Raimbault, Nathaniel: 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, Jul 2018).
MPG.PuRe
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