Analyzing cases of significant nondynamic correlation with DFT using the atomic populations of effectively localized electrons
Author:
Funder
U.S. Air Force
National Science Foundation
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry
Link
https://link.springer.com/content/pdf/10.1007/s00214-022-02871-z.pdf
Reference54 articles.
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2. Buijse MA, Baerends EJ (2002) An approximate exchange-correlation hole density as a functional of the natural orbitals. Mol Phys 100:401
3. Becke AD (2003) A real-space model of nondynamical correlation. J Chem Phys 119:2972
4. Becke AD (2013) Density functionals for static, dynamical, and strong correlation. J. Chem. Phys 138:074109
5. Kong J, Proynov E (2016) Density functional model for nondynamic and strong correlation. J Chem Theory Comput 12:133
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