ArticleJournal of chemical theory and computation2024
Orbital-Resolved DFT
Article in Journal of chemical theory and computation, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
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
11 citing papers in PubMed.
- Article
- Electron localization in noncompact covalent bonds captured by the rProceedings of the National Academy of Sciences of the United States of America · 2026Article
- Getting the Manifold Right: The Crucial Role of Orbital Resolution in DFT+Journal of chemical theory and computation · 2026Article
- Comparing Hubbard parameters from linear-response theory and a Hartree-Fock-based approach.npj computational materials · 2026Article
- Magnetic Coupling in Non-Kekulé Diradical Hydrocarbons via Multiconfigurational Pair-Density Functional Theory.Journal of chemical theory and computation · 2025Article
- Challenges and strategies for first-principles simulations of two-dimensional magnetic phenomena.Nanoscale · 2025Review
- Theoretical investigation of the electronic structure and magnetic properties of Ru doped LiFeAs.Scientific reports · 2025Article
- First-principles Hubbard parameters with automated and reproducible workflows.npj computational materials · 2025Article
- Magnons from time-dependent density-functional perturbation theory and nonempirical Hubbard functionals.npj computational materials · 2025Article
- Machine learning Hubbard parameters with equivariant neural networks.npj computational materials · 2025Article
- Orbital-Resolved DFTJournal of chemical theory and computation · 2024Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
We present an orbital-resolved extension of the Hubbard
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.