(March 2023) PhD position available
A PhD position is available. More info can be found at the following [link]. Contact information can be found in the dedicated page on this web site. To apply, visit the following page [link].
(Jan 2023) A book chapter is out!
The arXiv e-print entitled “Natural-orbital representation of molecular electronic transitions” has been published in SPR Chem. Mod. Vol. 17, edited by Hilke Bahmann and Jean Christophe Tremblay.
(Sept 2021) New affiliation
Professional transfer to the Laboratory of theoretical physics and chemistry at the Université de Lorraine, France.
(April 2021) Three new e-Prints are available on arXiv
A manuscript, entitled “Natural-orbital representation of molecular electronic transitions” has been published on arXiv and is available at the following link: arxiv.org/abs/2104.11947
Another one, entitled “Upper bound for the charge transferred during a molecular electronic transition — Insights from matrix analysis” has also been published on arXiv and is available at the following link: arxiv.org/abs/2104.13465
A third one, entitled “Auxiliary many-body wavefunctions for TDDFRT electronic excited states — Consequences for the representation of molecular electronic transitions” has also been published on arXiv and is available at the following link: arxiv.org/abs/2104.13616
(June 2020) New book is out
A book entitled ‘Les prérequis pour réussir – Licence de sciences’ has been published by the French editor Dunod (link)
(June 2019) The MESRA software is out!
The MESRA (Molecular Electronic-Structure Reorganization: Analysis) software has been released. More information at mesrasoftware.wordpress.com.
(February 2019) New e-Print available on arXiv
A manuscript, entitled “Diagnosis of two evaluation paths to density-based descriptors of molecular electronic transitions” has been published on arXiv and is available at the following link: arxiv.org/abs/1902.05840
Edit: has been published as a research paper in Advances in Quantum Chemistry (see publication list)
(November 2018) Two new e-Prints are available on arXiv
A new contribution, entitled “A comprehensive, self-contained derivation of the one-body density matrices from single-reference excited states calculation methods using the equation-of-motion formalism”, has been published on arXiv and is available at the following link: arxiv.org/abs/1811.08849
Edit: has been published in the International Journal of Quantum Chemistry as a tutorial review (see publication list)
Another one, entitled “Charge separation: From the topology of molecular electronic transitions to the dye/semiconductor interfacial energetics and kinetics”, is also available on arXiv at this address: arxiv.org/abs/1811.10526
Edit: has been published as a book chapter in Dye-sensitized solar cells: mathematical modeling, and materials design and optimization (see publication list)
(March 2018) PhD position available in theoretical chemistry
A PhD position is open in the Chemical Theory, Methods, Modeling team at the University of Montpellier. More details about the practical aspects of this PhD, and about the application are available here [not available anymore].
(March 2018) New open access book chapter available
An open access book chapter, entitled “Theoretical Insights into the Topology of Molecular Excitons from Single-Reference Excited States Calculation Methods” has been published in the Excitons book, edited by Sergei L. Pyshkin. To access directly to the book chapter, click here.
(August 2017) New article in J. Chem. Phys. available
An article entitled “Unveiling the nature of post-linear response Z-vector method for time-dependent density functional theory” has just been published in Journal of Chemical Physics. To access the article, click here.
Thibaud Etienne 