Simple Modifications of the SCAN Meta-Generalized Gradient Approximation Functional-Reference-Cited by-同舟云学术

Simple Modifications of the SCAN Meta-Generalized Gradient Approximation Functional

Published:2018-03-22 Issue:5 Volume:14 Page:2469-2479
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Mezei Pál D.¹^ORCID,Csonka Gábor I.²^ORCID,Kállay Mihály¹^ORCID

Affiliation:

1. MTA-BME Lendület Quantum Chemistry Research Group, Department of Physical Chemistry and Materials Science, Budapest University of Technology and Economics, H-1521 Budapest, Hungary

2. Department of Inorganic and Analytical Chemistry, Budapest University of Technology and Economics, H-1521 Budapest, Hungary

Funder

Nemzeti Kutat?si, Fejleszt?si ?s Innov?ci?s Hivatal

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00072

Reference70 articles.

1. Perspective: Fifty years of density-functional theory in chemical physics

2. Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals

3. A Simplification of the Hartree-Fock Method

4. Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

5. Generalized gradient approximations for exchange and correlation: A look backward and forward

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