Density-Corrected DFT Explained: Questions and Answers-Reference-Cited by-同舟云学术

Density-Corrected DFT Explained: Questions and Answers

Published:2022-01-20 Issue:2 Volume:18 Page:817-827
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Song Suhwan¹^ORCID,Vuckovic Stefan²³,Sim Eunji¹^ORCID,Burke Kieron⁴^ORCID

Affiliation:

1. Department of Chemistry, Yonsei University, 50 Yonsei-ro Seodaemun-gu, Seoul, 03722, Korea

2. Institute for Microelectronics and Microsystems (CNR-IMM), Via Monteroni, Campus Unisalento, Lecce, 73100, Italy

3. Department of Chemistry&Pharmaceutical Sciences and Amsterdam Institute of Molecular and Life Sciences (AIMMS), Faculty of Science, Vrije Universiteit, De Boelelaan 1083, Amsterdam, 1081HV, The Netherlands

4. Departments of Chemistry and of Physics, University of California, Irvine, California 92697, United States

Funder

National Research Foundation of Korea

Marie Sklodowska-Curie Actions

National Science Foundation

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c01045

Reference75 articles.

1. Self-Consistent Equations Including Exchange and Correlation Effects

2. Perspective on density functional theory

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

4. The Importance of Being Inconsistent

5. Understanding and Reducing Errors in Density Functional Calculations

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