A new preprint by Lucien Dupuy, Toni Chiti, Jérémy Morere and Emmanuel Fromager on Ensemble density functional theory of excited states: Exact N-centered formalism and practical opportunities is now available on arXiv : https://arxiv.org/abs/2604.11191

L’article A new preprint by Lucien Dupuy, Toni Chiti, Jérémy Morere and Emmanuel Fromager est apparu en premier sur Laboratoire de Chimie Quantique de Strasbourg.

A new preprint by Saad Yalouz and coworker on Light-Induced Quantum Self-Trapping of Vibrational Excitons in an Optical Cavity is now available on arXiv: https://arxiv.org/abs/2604.06142

L’article A new preprint by Saad Yalouz and coworker est apparu en premier sur Laboratoire de Chimie Quantique de Strasbourg.

A new preprint by Vincent Robert, Giovanni Li Manni and coworkers on Stochastic Difference-Dedicated Configuration Interaction for Magnetic Exchange in Large Active Spaces is now available on ChemRxiv : https://chemrxiv.org/doi/full/10.26434/chemrxiv.15001030/v1

L’article A new preprint by Vincent Robert, Giovanni Li Manni and coworkers est apparu en premier sur Laboratoire de Chimie Quantique de Strasbourg.

A new preprint by Wafa Makhlouf, Emmanuel Fromager and coworker on Generalized local potential functional embedding theory of localized orbitals is now available on arXiv: https://arxiv.org/abs/2602.15624

L’article A new preprint by Wafa Makhlouf, Emmanuel Fromager and coworker est apparu en premier sur Laboratoire de Chimie Quantique de Strasbourg.

A new preprint by Lucien Dupuy and Emmanuel Fromager on Charged excitations made neutral: N-centered ensemble density functional theory of Fukui functions is now available on arXiv: https://arxiv.org/abs/2601.02985

L’article A new preprint by Lucien Dupuy and Emmanuel Fromager est apparu en premier sur Laboratoire de Chimie Quantique de Strasbourg.

A new preprint by Lucien Dupuy, Emmanuel Fromager and coworker on Exactly factorized molecular Kohn–Sham density functional theory is now available on the arXiv: https://arxiv.org/abs/2601.03972

L’article A new preprint by Lucien Dupuy, Emmanuel Fromager and coworker est apparu en premier sur Laboratoire de Chimie Quantique de Strasbourg.

A new preprint by Wafa Makhlouf, Emmanuel Fromager and coworker on Local Potential Functional Embedding Theory of Molecular Systems: Localized Orbital-Based Embedding from an Exact Density-Functional Perspective is now available on the arXiv: https://arxiv.org/abs/2507.19591

L’article A new preprint by Wafa Makhlouf, Emmanuel Fromager and coworker est apparu en premier sur Laboratoire de Chimie Quantique de Strasbourg.

A new preprint by Lucien Dupuy and Emmanuel Fromager on Exact static linear response of excited states from ensemble density functional theory is now available on the arXiv: https://arxiv.org/abs/2506.16363

L’article A new preprint by Lucien Dupuy and Emmanuel Fromager est apparu en premier sur Laboratoire de Chimie Quantique de Strasbourg.

A new preprint by Saad Yalouz and coworkers on Ab Initio Polaritonic Chemistry on Diverse Quantum Computing Platforms: Qubit, Qudit, and Hybrid Qubit-Qumode Architectures is now available on the arXiv: https://arxiv.org/abs/2506.12504

L’article A new preprint by Even Chiari, Wafa Makhlouf, Lucie Pepe, Saad Yalouz and coworkers est apparu en premier sur Laboratoire de Chimie Quantique de Strasbourg.

A new preprint by Saad Yalouz and coworkers on Transformation-free generation of a quasi-diabatic representation from the state-average orbital-optimized variational quantum eigensolver is now available on the arXiv: https://arxiv.org/abs/2502.18194

L’article A new preprint by Saad Yalouz and coworkers est apparu en premier sur Laboratoire de Chimie Quantique de Strasbourg.