Assessing the performance of exchange-correlation functionals on lattice constants of binary solids at room temperature within the quasiharmonic approximation-Reference-Cited by-同舟云学术

Assessing the performance of exchange-correlation functionals on lattice constants of binary solids at room temperature within the quasiharmonic approximation

Published:2023-07-20 Issue:2 Volume:108 Page:
ISSN:2469-9950
Container-title:Physical Review B
language:en
Short-container-title:Phys. Rev. B

Author:

Shao Xiaofei,Liu Peitao^ORCID,Franchini Cesare,Xia Yi,He Jiangang^ORCID

Funder

Portland State University

Publisher

American Physical Society (APS)

Link

http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.108.024306/fulltext

Reference75 articles.

1. Ground State of the Electron Gas by a Stochastic Method

2. Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

3. Generalized Gradient Approximation Made Simple

4. Jacob’s ladder of density functional approximations for the exchange-correlation energy

5. Climbing the Density Functional Ladder: Nonempirical Meta–Generalized Gradient Approximation Designed for Molecules and Solids

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