ArticleJournal of chemical theory and computation2026
Stochastic Difference-Dedicated Configuration Interaction for Magnetic Exchange in Large Active Spaces.
Article in Journal of chemical theory and computation, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
0 citing papers in PubMed.
No citing paper in PubMed yet.
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The simulation of magnetic properties in strongly correlated systems remains a central challenge in electronic structure theory. The Difference-Dedicated Configuration Interaction (DDCI) method is widely regarded as a gold standard for computing magnetic exchange couplings, but its applicability is limited to small magnetic systems due to the steep growth of the configuration-interaction space with the number of correlated electrons and orbitals. Here, we introduce a stochastic formulation of DDCI based on Full Configuration Interaction Quantum Monte Carlo (FCIQMC) and the Generalized Active Space framework, which largely alleviates the computational bottleneck of conventional DDCI. The implementation is validated by comparison with conventional DDCI for the spin ladder of a trinuclear [Mn(IV)
Identifiers
What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.