🦕 Wanna work on excited-state methods in quantum chemistry? 🦖 Come to France for a postdoc, we have cheese 🧀 ! bit.ly/2NsYyWb #compchem #chemjob Laboratoire de Chimie et Physique Quantiques Please share and RT!

Relativistic electron detachment energies and spin–orbit splittings from quasiparticle electron propagator calculations tandfonline.com/doi/full/10.10…

Eigenvalues of uncorrelated, density-difference matrices and the interpretation of Δ-self-consistent-field calculations aip.scitation.org/doi/10.1063/5.…

Our new paper on Perturbed PNOs for CC linear response theory is out! dx.doi.org/10.1021/acs.jc… @t_d_crawford

Taken a very long time to get round to this, but finally uploaded the aug-cc-pV7Z basis sets to ccRepo (H, He, B-Ne, Al-Cl). #compchem grant-hill.group.shef.ac.uk/ccrepo/index.h…

aip.scitation.org/doi/10.1063/1.… The new response function theory formulation we published in #AIP_JCP

aip.scitation.org/doi/10.1063/1.… The first article in the series of Cluster Perturbation theory papers, published back-to-back in issue 13 of volume 150 of #AIP_JCP

Ionization Energies and Dyson Orbitals of the Iso-electronic SO2, O3, and S3 Molecules from Electron Propagator Calculations pubs.acs.org/doi/10.1021/ac… Our (Vince Ortiz's Joseph Vincent Ortiz and mine) new paper has just been published in The Journal of Physical Chemistry A The Journal of Physical Chemistry ).

State-of-the-art computational methods provide insights into, and visualization of, electronic structure for cations of atmospheric gases – ozone, sulfur dioxide, and thiozone – and encourage future photoelectron experiments. Joseph Vincent Ortiz Filip Pawlowski ow.ly/w1aI50EyvGZ

Excited to share my new paper with VerletNet out in The Journal of Physical Chemistry 🎉🎉 Modeling the Photoelectron Angular Distributions of Molecular Anions: Roles of the Basis Set, Orbital Choice, and Geometry pubs.acs.org/doi/10.1021/ac…

Coupled-Cluster Theory Revisited arxiv.org/abs/2105.13134 #compchem

[2106.03757] Complex Ground-State and Excitation Energies in Coupled-Cluster Theory #compchem arxiv.org/abs/2106.03757

[2106.11305] Variational coupled cluster for ground and excited states #compchem arxiv.org/abs/2106.11305

Our new paper on electron binding energies in #waterclusters is out: aip.scitation.org/doi/10.1063/5.…

We have just introduced (JCP Papers) a new generation of diagonal, ab initio propagator methods, derived from an intermediately normalized, Hermitized metric that render several widely used diagonal methods obsolete for ionization energy calculations: aip.scitation.org/doi/10.1063/5.…

Brewed in Auburn University! Served at the American Chemical Society's The Journal of Physical Chemistry A!! Enjoy!!! pubs.acs.org/doi/10.1021/ac…