On the top rung of Jacob's ladder of density functional theory: Toward resolving the dilemma of SIE and NCE-Reference-Cited by-同舟云学术

On the top rung of Jacob's ladder of density functional theory: Toward resolving the dilemma of SIE and NCE

Published:2020-06-23 Issue:1 Volume:11 Page:
ISSN:1759-0876
Container-title:WIREs Computational Molecular Science
language:en
Short-container-title:WIREs Comput Mol Sci

Author:

Zhang Igor Ying¹^ORCID,Xu Xin¹^ORCID

Affiliation:

1. Shanghai Key Laboratory of Molecular Catalysis and Innovation Materials, Collaborative Innovation Centre of Chemistry for Energy Materials, MOE Laboratory for Computational Physical Science, Department of Chemistry Fudan University Shanghai China

Funder

National Basic Research Program of China

National Natural Science Foundation of China

Science Challenge Project

Publisher

Wiley

Subject

Materials Chemistry,Computational Mathematics,Physical and Theoretical Chemistry,Computer Science Applications,Biochemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/wcms.1490

Reference145 articles.

1. Self-Consistent Equations Including Exchange and Correlation Effects

2. A new functional with homogeneous coordinate scaling in density functional theory: F [ ρ,λ]

3. Density-functional exchange-energy approximation with correct asymptotic behavior

4. A new mixing of Hartree–Fock and local density‐functional theories

5. Density‐functional thermochemistry. III. The role of exact exchange

Cited by 33 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. How accurate can Kohn‐Sham density functional be for both main‐group and transition metal reactions;Journal of Computational Chemistry;2024-08-30

2. Toward Efficient and Unified Treatment of Static and Dynamic Correlations in Generalized Kohn–Sham Density Functional Theory;JACS Au;2024-08-12

3. Identification of Active Sites on Boron-Doped Graphitic Carbon Nitride as a Metal-Free Single-Atom Photoelectrocatalyst for the Nitrogen Reduction Reaction;The Journal of Physical Chemistry C;2024-08-12

4. Towards adiabatic-connection interpolation model with broader applicability;Physical Review B;2024-06-14

5. 强关联分子体系电子结构方法研究进展;Chinese Science Bulletin;2024-04-01