Toward the construction of parameter-free doubly hybrid density functionals-Reference-Cited by-同舟云学术

Toward the construction of parameter-free doubly hybrid density functionals

Published:2014-12-17 Issue:10 Volume:115 Page:589-595
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Su Neil Qiang¹,Xu Xin¹

Affiliation:

1. Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Collaborative Innovation Center of Chemistry for Energy Materials, MOE Laboratory for Computational Physical Science; Fudan University; Shanghai 200433 China

Funder

Ministry of Science and Technology of the People's Republic of China

National Natural Science Foundation of China

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Reference79 articles.

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2. Universal variational functionals of electron densities, first-order density matrices, and natural spin-orbitals and solution of the v-representability problem

3. Self-Consistent Equations Including Exchange and Correlation Effects

4. Doubly Hybrid Meta DFT: New Multi-Coefficient Correlation and Density Functional Methods for Thermochemistry and Thermochemical Kinetics

5. Semiempirical hybrid density functional with perturbative second-order correlation

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