Assessing the performance of the recent meta-GGA density functionals for describing the lattice constants, bulk moduli, and cohesive energies of alkali, alkaline-earth, and transition metals
Author:
Affiliation:
1. School of Physical Sciences, National Institute of Science Education and Research, HBNI, Bhubaneswar 752050, India
2. School of Physics, Indian Institute of Science Education and Research, Maruthamala, Vithura, Thiruvananthapuram 695551, India
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.5047863
Reference79 articles.
1. Self-Consistent Equations Including Exchange and Correlation Effects
2. Self-interaction correction to density-functional approximations for many-electron systems
3. Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation
4. Density-functional exchange-energy approximation with correct asymptotic behavior
5. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
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