How Accurate Are the Minnesota Density Functionals for Noncovalent Interactions, Isomerization Energies, Thermochemistry, and Barrier Heights Involving Molecules Composed of Main-Group Elements?-Reference-Cited by-同舟云学术

How Accurate Are the Minnesota Density Functionals for Noncovalent Interactions, Isomerization Energies, Thermochemistry, and Barrier Heights Involving Molecules Composed of Main-Group Elements?

Published:2016-09-02 Issue:9 Volume:12 Page:4303-4325
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Mardirossian Narbe¹²,Head-Gordon Martin¹²

Affiliation:

1. Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California, Berkeley, California 94720, United States

2. Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States

Funder

Basic Energy Sciences

Office of Science

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b00637

Reference135 articles.

1. Self-Consistent Equations Including Exchange and Correlation Effects

2. Twelve outstanding problems in ground-state density functional theory: A bouquet of puzzles

3. Challenges for Density Functional Theory

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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