The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
An improved and broadly accurate local approximation to the exchange–correlation density functional: The MN12-L functional for electronic structure calculations in chemistry and physics
Abstract
We report a new local exchange-correlation energy functional that has significantly improved across-the-board performance, including main-group and transition metal chemistry and solid-state physics, especially atomization energies, ionization potentials, barrier heights, noncovalent interactions, isomerization energies of large moleucles, and solid-state lattice constants and cohesive energies.
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Citations
Cites
Self-Consistent Equations Including Exchange and Correlation Effects
Kohn, W., & Sham, L. J. (1965) · Physical Review · doi:10.1103/physrev.140.a1133 · Cited by 64,135
Cited by
Mardirossian, N., & Head-Gordon, M. (2017) · Molecular Physics · doi:10.1080/00268976.2017.1333644 · Cited by 2,307
Carmona, D. J., Jaque, P., & Vöhringer-Martinez, E. (2020) · Theoretical Chemistry Accounts · doi:10.1007/s00214-020-02607-x · Cited by 18
Metadata
- Authors
- Peverati, R., & Truhlar, D. G.
- Venue
- Physical Chemistry Chemical Physics
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2012
- Volume
- 14
- Issue
- 38
- Pages
- 13171
- ISSN
- 1463-9076 (ISSN-L)
- 1463-9084
- OpenAlex
- W2127513957
- Cited by
- 431
- References
- 1
- FWCI
- 9.64
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: An improved and broadly accurate local approximation to the exchange–correlation density functional: The MN12-L functional for electronic structure calculations in chemistry and physics. https://app.cochat.ai/papers/10.1039/c2cp42025b
- The paper
- Peverati, R., & Truhlar, D. G. (2012). An improved and broadly accurate local approximation to the exchange–correlation density functional: The MN12-L functional for electronic structure calculations in chemistry and physics. Physical Chemistry Chemical Physics. https://doi.org/10.1039/c2cp42025b
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
