Basis Set Requirements of σ-Functionals for Gaussian- and Slater-Type Basis Functions and Comparison with Range-Separated Hybrid and Double Hybrid Functionals-Reference-Cited by-同舟云学术

Basis Set Requirements of σ-Functionals for Gaussian- and Slater-Type Basis Functions and Comparison with Range-Separated Hybrid and Double Hybrid Functionals

Published:2024-03-11 Issue:6 Volume:20 Page:2404-2422
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Fauser Steffen¹^ORCID,Förster Arno²^ORCID,Redeker Leon¹,Neiss Christian¹,Erhard Jannis¹,Trushin Egor¹³,Görling Andreas¹³^ORCID

Affiliation:

1. Lehrstuhl für Theoretische Chemie, Universität Erlangen-Nürnberg, Egerlandstr. 3, D-91058 Erlangen, Germany

2. Theoretical Chemistry, Vrije Universiteit, De Boelelaan 1083, NL-1081 HV Amsterdam, The Netherlands

3. Erlangen National High Performance Computing Center (NHR@FAU), Martensstr. 1, D-91058 Erlangen, Germany

Funder

Deutsche Forschungsgemeinschaft

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c01132

Reference125 articles.

1. Inhomogeneous Electron Gas

2. Self-Consistent Equations Including Exchange and Correlation Effects

3. The exchange-correlation energy of a metallic surface

4. Exchange-correlation energy of a metallic surface: Wave-vector analysis

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