ArticleJournal of chemical theory and computation2023
Magnetic Interactions in a [Co(II)
Article in Journal of chemical theory and computation, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
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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.
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Who cites it
7 citing papers in PubMed.
- Stochastic Difference-Dedicated Configuration Interaction for Magnetic Exchange in Large Active Spaces.Journal of chemical theory and computation · 2026Article
- Stochastic-SplitGAS: A Quantum Monte Carlo Multi-Reference Perturbation Theory Based on the Imaginary-Time Evolution of Effective Hamiltonians.Journal of chemical theory and computation · 2025Article
- A Genetic Algorithm Approach for Compact Wave Function Representations in Spin-Adapted Bases.Journal of chemical theory and computation · 2025Article
- Effective Hamiltonians from Spin-Adapted Configuration Interaction.Journal of chemical theory and computation · 2025Article
- Toward a Stochastic Complete Active Space Second-Order Perturbation Theory.The journal of physical chemistry. A · 2024Article
- Exploiting Locality in Full Configuration Interaction Quantum Monte Carlo for Fast Excitation Generation.Journal of chemical theory and computation · 2023Article
- Measuring Electron Correlation: The Impact of Symmetry and Orbital Transformations.Journal of chemical theory and computation · 2023Review
Corrections and comments
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Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Strong electron correlation effects are one of the major challenges in modern quantum chemistry. Polynuclear transition metal clusters are peculiar examples of systems featuring such forms of electron correlation. Multireference strategies, often based on but not limited to the concept of complete active space, are adopted to accurately account for strong electron correlation and to resolve their complex electronic structures. However, transition metal clusters already containing four magnetic centers with multiple unpaired electrons make conventional active space based strategies prohibitively expensive, due to their unfavorable scaling with the size of the active space. In this work, forefront techniques, such as density matrix renormalization group (DMRG), full configuration interaction quantum Monte Carlo (FCIQMC), and multiconfiguration pair-density functional theory (MCPDFT), are employed to overcome the computational limitation of conventional multireference approaches and to accurately investigate the magnetic interactions taking place in a [Co(II)
Identifiers
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Registered trials
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