Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional-Reference-Cited by-同舟云学术

Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional

Published:2016-06-13 Issue:9 Volume:8 Page:831-836
ISSN:1755-4330
Container-title:Nature Chemistry
language:en
Short-container-title:Nature Chem

Author:

Sun Jianwei,Remsing Richard C.,Zhang Yubo,Sun Zhaoru,Ruzsinszky Adrienn,Peng Haowei,Yang Zenghui,Paul Arpita,Waghmare Umesh,Wu Xifan,Klein Michael L.,Perdew John P.

Publisher

Springer Science and Business Media LLC

Subject

General Chemical Engineering,General Chemistry

Link

http://www.nature.com/articles/nchem.2535.pdf

Reference52 articles.

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3. Sun, J., Perdew, J. P. & Seidl, M. Correlation energy of the uniform electron gas from an interpolation between high-and low-density limits. Phys. Rev. B 81, 085123 (2010).

4. Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865–3868 (1996).

5. Perdew, J. P. et al. Restoring the density-gradient expansion for exchange in solids and surfaces. Phys. Rev. Lett. 100, 136406 (2008).

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