On the performance of local, semilocal, and nonlocal exchange-correlation functionals on transition metal molecules
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.2739539
Reference79 articles.
1. Climbing the Density Functional Ladder: Nonempirical Meta–Generalized Gradient Approximation Designed for Molecules and Solids
2. Thermochemical tests of a kinetic-energy dependent exchange-correlation approximation
3. Nonlocal correlation functional involving the Laplacian of the density
4. Accurate Density Functional with Correct Formal Properties: A Step Beyond the Generalized Gradient Approximation
5. A new mixing of Hartree–Fock and local density‐functional theories
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