Assessing the Accuracy of Local Hybrid Density Functional Approximations for Molecular Response Properties-Reference-Cited by-同舟云学术

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Assessing the Accuracy of Local Hybrid Density Functional Approximations for Molecular Response Properties

Published:2021-04-29 Issue:5 Volume:17 Page:2928-2947
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Holzer Christof¹^ORCID,Franzke Yannick J.²³^ORCID,Kehry Max³^ORCID

Affiliation:

1. Institute of Theoretical Solid State Physics, Karlsruhe Institute of Technology (KIT), 76131 Karlsruhe, Germany

2. Fachbereich Chemie, Philipps−Universität Marburg, 35032 Marburg, Germany

3. Institute of Physical Chemistry, Karlsruhe Institute of Technology (KIT), 76131 Karlsruhe, Germany

Funder

Deutsche Forschungsgemeinschaft

Verband der Chemischen Industrie

Volkswagen Foundation

Turbomole GmbH

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00203

Reference191 articles.

1. Local hybrid functionals

2. Global Hybrid Functionals: A Look at the Engine under the Hood

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

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

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

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