Ab Initio Calculations for Molecule–Surface Interactions with Chemical Accuracy-Reference-Cited by-同舟云学术

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Ab Initio Calculations for Molecule–Surface Interactions with Chemical Accuracy

Published:2019-11-25 Issue:12 Volume:52 Page:3502-3510
ISSN:0001-4842
Container-title:Accounts of Chemical Research
language:en
Short-container-title:Acc. Chem. Res.

Author:

Sauer Joachim¹^ORCID

Affiliation:

1. Institute of Chemistry, Humboldt University, 10117 Berlin, Germany

Funder

Deutsche Forschungsgemeinschaft

Max-Planck-Gesellschaft

Verband der Chemischen Industrie

North German Computing Alliance Berlin-Hannover

Publisher

American Chemical Society (ACS)

Subject

General Medicine,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.accounts.9b00506

Reference74 articles.

1. Quantum mechanics of many-electron systems

2. Accurate Theoretical Chemistry with Coupled Pair Models

3. Design of Density Functionals That Are Broadly Accurate for Thermochemistry, Thermochemical Kinetics, and Nonbonded Interactions

4. SBH10: A Benchmark Database of Barrier Heights on Transition Metal Surfaces

5. Towards a full CCSDT model for electron correlation

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