Laboratoire de Chimie et Physique Quantiques

Recent papers from Laboratoire de Chimie et Physique Quantiques

1. Correcting basis-set errors due to the absence of the electron–electron cusp using an adiabatic connectionThe Journal of Chemical Physics · 2026
2. Transcorrelated random-phase approximationThe Journal of Chemical Physics · 2026
3. Cell cycle-dependent chromatin motion: a role for DNA content doubling over cohesionNucleic Acids Research · 2026
4. Water Attachment onto Size-Selected Cationic Hydroxy–Pyrene ClustersThe Journal of Physical Chemistry A · 2026
5. Magnetic properties of a complex with pentagonal bipyramidal Co(II) units forming a triangular spin necklacePhysical Review Materials · 2026
6. Redox‐Switchable Optical and Magnetic Properties in a Self‐Assembled Hexanuclear Ni(II) Double‐Decker ComplexChemistry - A European Journal · 2026
7. Charge localization in diatomic ions investigated with a dipole driven approach. II. Interplay with the spin–orbit coupling and polarization models, test for (KrXe)+The Journal of Chemical Physics · 2026
8. A Water‐Soluble Fluorescent 2,5‐bis(arylethynyl)rhodacyclopentadiene for Live‐Cell Imaging and Sensing of DNA, RNA, and Protein (BSA)ChemPhotoChem · 2026
9. Thermodynamics of quantum oscillatorsThe Journal of Chemical Physics · 2026
10. From full dynamic to pure static: A family of GW -based approximationsThe Journal of Chemical Physics · 2026
11. Metallogels and Molybdate Arrays Formed by Self-Assembly of Carbohydrate Molybdenum ComplexesChemistry of Materials · 2026
12. An Algebraic-Diagrammatic Construction for Vertex Corrections to the GW Self-EnergyThe Journal of Physical Chemistry Letters · 2026
13. Multichannel Dyson equation for double ionization spectroscopiesPhysical review. B./Physical review. B · 2026
14. Connection between GW and Extended Coupled ClusterJournal of Chemical Theory and Computation · 2026
15. Reference Energies for Non-Relativistic Core Ionization PotentialsJournal of Chemical Theory and Computation · 2026
16. Exploitation of Complex Abelian Point Groups in Quantum-Chemical CalculationsThe Journal of Physical Chemistry A · 2026
17. Microsolvation of Charged PAH Clusters: Modeling Interaction of Water Aggregates with Cationic Pyrene DimerACS Earth and Space Chemistry · 2026
18. Parity violation effects in helical osmocene: Theoretical analysis and experimental prospectsThe Journal of Chemical Physics · 2026
19. Acenaphthene Derivatives as Signatures of C ₁₁ H ₉ ⁺ Reactivity with Methylated NaphthalenesACS Earth and Space Chemistry · 2026
20. The Nuclear Electric Quadrupole Moment of ⁸⁷ Sr from Highly Accurate Molecular Relativistic CalculationsThe Journal of Physical Chemistry A · 2026