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Direct Comparison of Many-Body Methods for Realistic Electronic Hamiltonians

Direct Comparison of Many-Body Methods for Realistic Electronic Hamiltonians

https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_b2e5b35f6d5b456f9234d70b584607b6

Direct Comparison of Many-Body Methods for Realistic Electronic Hamiltonians

About this item

Full title

Direct Comparison of Many-Body Methods for Realistic Electronic Hamiltonians

Publisher

College Park: American Physical Society

Journal title

Physical review. X, 2020-02, Vol.10 (1), p.011041, Article 011041

Language

English

Formats

Publication information

Publisher

College Park: American Physical Society

More information

Scope and Contents

Contents

A large collaboration carefully benchmarks 20 first-principles many-body electronic structure methods on a test set of seven transition metal atoms and their ions and monoxides. Good agreement is attained between three systematically converged methods, resulting in experiment-free reference values. These reference values are used to assess the accu...

Alternative Titles

Full title

Direct Comparison of Many-Body Methods for Realistic Electronic Hamiltonians

Identifiers

Primary Identifiers

Record Identifier

TN_cdi_doaj_primary_oai_doaj_org_article_b2e5b35f6d5b456f9234d70b584607b6

Permalink

https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_b2e5b35f6d5b456f9234d70b584607b6

Other Identifiers

ISSN

2160-3308

E-ISSN

2160-3308

DOI

10.1103/PhysRevX.10.011041

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