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Paul A Johnson

@johnsontheochem.bsky.social
47 followers 47 following 13 posts

Strong electron correlation with Bethe Ansatz wavefunctions

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Paul A Johnson @johnsontheochem.bsky.social · 01/06/2026
CASSCF quality dissociations with MP2 cost. Single-reference perturbation theory with Perfect-Pairing reference. The excitations are correlated but everything is simple to compute. arxiv.org/abs/2605.31582
arxiv.org
Richardson-Gaudin states of non-zero seniority III: The Perfect-Pairing limit
Strongly correlated electrons can be treated with a configuration interaction of Slater determinants grouped by number of unpaired electrons with exponential cost. The first two papers in this series ...
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Reposted by Paul A Johnson
Chemistry Faculty Positions in Canada @chemfacultycdn.bsky.social · 13/02/2026
Université Laval: Canada Impact+ Research Chairs in Nanostructured Materials Chemistry chempostingscanada.blogspot.com/202…
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Paul A Johnson @johnsontheochem.bsky.social · 17/12/2025
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.
pubs.aip.org
Connections between Richardson–Gaudin states, perfect-pairing, and pair coupled-cluster theory
Slater determinants underpin most electronic structure methods, but orbital-based approaches often struggle to describe strong correlation efficiently. Geminal-
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Reposted by Paul A Johnson
Pierre-Francois Loos @titouloos.bsky.social · 08/10/2025
arxiv.org/abs/2510.06144 #compchem
arxiv.org
Connections between Richardson-Gaudin States, Perfect-Pairing, and Pair Coupled-Cluster Theory
Slater determinants underpin most electronic structure methods, but orbital-based approaches often struggle to describe strong correlation efficiently. Geminal-based theories, by contrast, naturally c...
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Paul A Johnson @johnsontheochem.bsky.social · 23/08/2025
pubs.aip.org/aip/jcp/arti...
pubs.aip.org
Richardson–Gaudin states of non-zero seniority. II. Single-reference treatment of strong correlation
Strongly correlated systems are well described as a configuration interaction of Slater determinants classified by their number of unpaired electrons. This trea
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Reposted by Paul A Johnson
Pierre-Francois Loos @titouloos.bsky.social · 04/07/2025
arxiv.org/abs/2507.02160 #compchem
arxiv.org
Fully Analytic Nuclear Gradients for the Bethe--Salpeter Equation
The Bethe-Salpeter equation (BSE) formalism, combined with the $GW$ approximation for ionization energies and electron affinities, is emerging as an efficient and accurate method for predicting optica...
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Paul A Johnson @johnsontheochem.bsky.social · 12/06/2025
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
arxiv.org
Richardson-Gaudin states of non-zero seniority II: Single-reference treatment of strong correlation
Strongly correlated systems are well described as a configuration interaction of Slater determinants classified by their number of unpaired electrons. This treatment is however unfeasible. In this man...
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Paul A Johnson @johnsontheochem.bsky.social · 03/04/2025
Finally. This was quite a struggle. In short: can add missing structure from a seniority-zero state with single-reference methods. Parts 2 and 3 to come. pubs.aip.org/aip/jcp/arti...
pubs.aip.org
Richardson–Gaudin states of non-zero seniority: Matrix elements
Seniority-zero wave functions describe bond-breaking processes qualitatively. As eigenvectors of a model Hamiltonian, Richardson–Gaudin states provide a clear p
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Paul A Johnson @johnsontheochem.bsky.social · 06/03/2025
Scheduling a meeting at 6:30, google calendar assumes it's in the evening 😂
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Paul A Johnson @johnsontheochem.bsky.social · 15/01/2025
Seniority-based CI works well for strongly correlated systems at an exponential cost. The goal here is to replace it with a short excitation-based CI of correlated states. Here all the required matrix elements are computed. In every case, a single linear algebra operation per pair of states.
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