The DOI matches its Crossref record; 3 of the 3 references it cites were found in a registry or an index.
Communication: A global hybrid generalized gradient approximation to the exchange-correlation functional that satisfies the second-order density-gradient constraint and has broad applicability in chemistry
Open accessAbstract
We extend our recent SOGGA11 approximation to the exchange-correlation functional to include a percentage of Hartree-Fock exchange. The new functional, called SOGGA11-X, has better overall performance for a broad chemical database than any previously available global hybrid generalized gradient approximation, and in addition it satisfies an extra physical constraint in that it is correct to second order in the density-gradient.
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Citations
Cites
Density-functional thermochemistry. III. The role of exact exchange
Becke, A. D. (1993) · The Journal of Chemical Physics · doi:10.1063/1.464913 · Cited by 103,767
Lee, C., Yang, W., & Parr, R. G. (1988) · Physical Review B · doi:10.1103/physrevb.37.785 · Cited by 100,874
A new mixing of Hartree–Fock and local density-functional theories
Becke, A. D. (1993) · The Journal of Chemical Physics · doi:10.1063/1.464304 · Cited by 16,515
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
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 2011-11-21
- Volume
- 135
- Issue
- 19
- Pages
- 191102-191102
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2004977100
- Cited by
- 306
- References
- 3
- FWCI
- 7.12
- Type
- journal article
- Language
- en
- Open access
- bronze
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