Work with @titouloos.bsky.social @marm314.bsky.social : PP is an independent pair model with a reference Hamiltonian. The corresponding PT2 correction \approx pCCD. Here, seniority-zero correction only in the valence. The real correction coming soon.

Parquet theory for molecular systems: Formalism and static kernel parquet approximation pubs.aip.org/aip/jcp/arti... #compchem

Complex Absorbing Potential Green’s Function Methods for Resonances | Journal of Chemical Theory and Computation pubs.acs.org/doi/10.1021/... #compchem

arxiv.org/abs/2510.23275 #compchem

Fully Analytic Nuclear Gradients for the Bethe–Salpeter Equation | The Journal of Physical Chemistry Letters pubs.acs.org/doi/10.1021/... #compchem

arxiv.org/abs/2510.06144 Exploring the "Connections between Richardson-Gaudin States, Perfect-Pairing, and Pair Coupled-Cluster Theory." #compchem @titouloos.bsky.social @johnsontheochem.bsky.social

arxiv.org/abs/2510.06144 #compchem

arxiv.org/abs/2509.03253 #compchem

QUEST Database of Highly-Accurate Excitation Energies | Journal of Chemical Theory and Computation pubs.acs.org/doi/10.1021/... #compchem

arxiv.org/abs/2507.03496 #compchem

arxiv.org/abs/2507.02160 #compchem

🦣 update of #QUESTDB (Database of Highly-Accurate Excitation Energies) 🦖 The latest #preprint on #QUESTDB is just out on @arXiv (arxiv.org/abs/2506.11590) with the corresponding @github repo (github.com/pfloos/QUESTDB) where we have compiled all the data in various formats. Please share! #compchem

Very short follow-up after the ridiculous part I. Short excitation-based CI of RG states converges quickly. (ordinarily, I'd reply to a post from @titouloos.bsky.social ) arxiv.org/abs/2506.09379

Pesticides, mégabassines, élevages géants : la macronie plombe l’écologie. C’est la une de Libération lundi. Pour favoriser l’adoption d’une ­proposition de loi réclamée par la FNSEA, le camp présidentiel et LR s’apprêtent à empêcher les ­débats à l’Assemblée.

Excited states of the uniform electron gas pubs.aip.org/aip/jcp/arti...

arxiv.org/abs/2503.00617 #compchem

arxiv.org/abs/2503.01299 #compchem

arxiv.org/abs/2502.17683 #compchem

arxiv.org/abs/2502.08753 #compchem

arxiv.org/abs/2502.04631 #compchem

arxiv.org/abs/2502.03098 #compchem

New model for the excited states of the uniform electron gas (kinetic, exchange & leading term of correlation). Hopefully, useful to construct state-specific density-functional approximations for excited states. 🌻Comments welcome! 🌺@LCPQ_UMR5626 @pterosor #compchem #UEG #DFT

arxiv.org/abs/2502.02378 #compchem

Finally published: Time-reversal symmetry in RDMFT and pCCD with complex-valued orbitals J. Chem. Phys., 162, 054716 (2025) doi.org/10.1063/5.0242504

Oh my! Thank you! 😊

arxiv.org/abs/2501.18667 #compchem

arxiv.org/abs/2501.18996 #compchem

arxiv.org/abs/2501.18263 #compchem

arxiv.org/abs/2501.18135 #compchem

arxiv.org/abs/2501.18568 #compchem

arxiv.org/abs/2501.17421 #compchem

arxiv.org/abs/2501.17114 #compchem

arxiv.org/abs/2501.12765 #compchem

arxiv.org/abs/2501.12950 #compchem

arxiv.org/abs/2501.10515 #compchem

arxiv.org/abs/2501.10907 #compchem

arxiv.org/abs/2501.08882 #compchem

arxiv.org/abs/2501.07803 #compchem

arxiv.org/abs/2501.08051 #compchem

Come be my colleague! We are recruiting an Assistant Prof in #compchem - broadly defined, all areas are welcome, the key requirement is excellence! Deadline February 2. #academicjobs @chemjobber.bsky.social www.jobs.ac.uk/job/DLH550/a...