ArticleJournal of chemical theory and computation2022
Large-Scale Benchmarking of Multireference Vertical-Excitation Calculations via Automated Active-Space Selection.
Article in Journal of chemical theory and computation, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 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.
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Who cites it
13 citing papers in PubMed.
- Ultrafast excited-state proton transfer dynamics using linearized pair-density functional theory.Chemical science · 2026Article
- Reactive Chemistry at the Unrestricted Coupled Cluster Level: High-Throughput Calculations for Training Machine Learning Potentials.Journal of chemical theory and computation · 2026Article
- A Qualitative Approach for Predicting Enhanced Intersystem Crossing in Chromophore-Radical Systems.The journal of physical chemistry letters · 2026Article
- Similarities and Differences on the Electronic Structure and Chemical Bonding of Isoelectronic Molecules: XACS omega · 2026Article
- Cartesian equivariant representations for learning and understanding molecular orbitals.Proceedings of the National Academy of Sciences of the United States of America · 2025Article
- Bridging the gap between molecules and materials in quantum chemistry with localized active spaces.Nature communications · 2025Article
- Weighted active space protocol for multireference machine-learned potentials.Proceedings of the National Academy of Sciences of the United States of America · 2025Article
- QCMaquis 4.0: Multipurpose Electronic, Vibrational, and Vibronic Structure and Dynamics Calculations with the Density Matrix Renormalization Group.The journal of physical chemistry. A · 2025Article
- DC24: A new density coherence functional for multiconfiguration density-coherence functional theory.Journal of computational chemistry · 2025Article
- Organic Reactivity Made Easy and Accurate with Automated Multireference Calculations.ACS central science · 2024Article
- The OpenMolcasJournal of chemical theory and computation · 2023Article
- Density Matrix Embedding Using Multiconfiguration Pair-Density Functional Theory.Journal of chemical theory and computation · 2023Article
- Automated Active Space Selection with Dipole Moments.Journal of chemical theory and computation · 2023Article
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 have calculated state-averaged complete-active-space self-consistent-field (SA-CASSCF), multiconfiguration pair-density functional theory (MC-PDFT), hybrid MC-PDFT (HMC-PDFT), and
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.