Which model density is best in pair natural orbital local correlation theory? Article Swipe
Réka A. Horváth
,
Kesha Sorathia
,
Isabelle Saint
,
David P. Tew
·
YOU?
·
· 2024
· Open Access
·
· DOI: https://doi.org/10.1016/j.cplett.2024.141144
YOU?
·
· 2024
· Open Access
·
· DOI: https://doi.org/10.1016/j.cplett.2024.141144
Low-scaling electron correlation theory based on the pair natural orbital approximation, PNO-CCSD(T), has become a powerful computational tool. Motivated by the recent discovery of large errors for organometallic molecules, we assess the role of the model density used to discard unimportant contributions. We find that second-order perturbation theory provides the best compromise between cost and accuracy, but coupling between localised occupied orbitals must be accounted for. Errors in the CCSD energy are then well below 1 kcal/mol, even for molecules with moderate multi-reference character, and the primary remaining source of errors lies in the treatment of the (T) energy contribution.
Related Topics
Concepts
Metadata
- Type
- article
- Language
- en
- Landing Page
- https://doi.org/10.1016/j.cplett.2024.141144
- OA Status
- hybrid
- References
- 46
- Related Works
- 10
- OpenAlex ID
- https://openalex.org/W4391934215
All OpenAlex metadata
Raw OpenAlex JSON
- OpenAlex ID
-
https://openalex.org/W4391934215Canonical identifier for this work in OpenAlex
- DOI
-
https://doi.org/10.1016/j.cplett.2024.141144Digital Object Identifier
- Title
-
Which model density is best in pair natural orbital local correlation theory?Work title
- Type
-
articleOpenAlex work type
- Language
-
enPrimary language
- Publication year
-
2024Year of publication
- Publication date
-
2024-02-19Full publication date if available
- Authors
-
Réka A. Horváth, Kesha Sorathia, Isabelle Saint, David P. TewList of authors in order
- Landing page
-
https://doi.org/10.1016/j.cplett.2024.141144Publisher landing page
- Open access
-
YesWhether a free full text is available
- OA status
-
hybridOpen access status per OpenAlex
- OA URL
-
https://doi.org/10.1016/j.cplett.2024.141144Direct OA link when available
- Concepts
-
Correlation, Natural (archaeology), Physics, Statistical physics, Natural bond orbital, Density functional theory, Molecular physics, Quantum mechanics, Mathematics, Geometry, Geology, PaleontologyTop concepts (fields/topics) attached by OpenAlex
- Cited by
-
0Total citation count in OpenAlex
- References (count)
-
46Number of works referenced by this work
- Related works (count)
-
10Other works algorithmically related by OpenAlex
Full payload
| id | https://openalex.org/W4391934215 |
|---|---|
| doi | https://doi.org/10.1016/j.cplett.2024.141144 |
| ids.doi | https://doi.org/10.1016/j.cplett.2024.141144 |
| ids.openalex | https://openalex.org/W4391934215 |
| fwci | 0.0 |
| type | article |
| title | Which model density is best in pair natural orbital local correlation theory? |
| biblio.issue | |
| biblio.volume | 840 |
| biblio.last_page | 141144 |
| biblio.first_page | 141144 |
| topics[0].id | https://openalex.org/T10591 |
| topics[0].field.id | https://openalex.org/fields/31 |
| topics[0].field.display_name | Physics and Astronomy |
| topics[0].score | 0.9556999802589417 |
| topics[0].domain.id | https://openalex.org/domains/3 |
| topics[0].domain.display_name | Physical Sciences |
| topics[0].subfield.id | https://openalex.org/subfields/3104 |
| topics[0].subfield.display_name | Condensed Matter Physics |
| topics[0].display_name | Theoretical and Computational Physics |
| topics[1].id | https://openalex.org/T10939 |
| topics[1].field.id | https://openalex.org/fields/25 |
| topics[1].field.display_name | Materials Science |
| topics[1].score | 0.9537000060081482 |
| topics[1].domain.id | https://openalex.org/domains/3 |
| topics[1].domain.display_name | Physical Sciences |
| topics[1].subfield.id | https://openalex.org/subfields/2504 |
| topics[1].subfield.display_name | Electronic, Optical and Magnetic Materials |
| topics[1].display_name | Crystal Structures and Properties |
| topics[2].id | https://openalex.org/T12613 |
| topics[2].field.id | https://openalex.org/fields/25 |
| topics[2].field.display_name | Materials Science |
| topics[2].score | 0.9297999739646912 |
| topics[2].domain.id | https://openalex.org/domains/3 |
| topics[2].domain.display_name | Physical Sciences |
| topics[2].subfield.id | https://openalex.org/subfields/2505 |
| topics[2].subfield.display_name | Materials Chemistry |
| topics[2].display_name | X-ray Diffraction in Crystallography |
| is_xpac | False |
| apc_list.value | 3340 |
| apc_list.currency | USD |
| apc_list.value_usd | 3340 |
| apc_paid.value | 3340 |
| apc_paid.currency | USD |
| apc_paid.value_usd | 3340 |
| concepts[0].id | https://openalex.org/C117220453 |
| concepts[0].level | 2 |
| concepts[0].score | 0.5006177425384521 |
| concepts[0].wikidata | https://www.wikidata.org/wiki/Q5172842 |
| concepts[0].display_name | Correlation |
| concepts[1].id | https://openalex.org/C2776608160 |
| concepts[1].level | 2 |
| concepts[1].score | 0.49178341031074524 |
| concepts[1].wikidata | https://www.wikidata.org/wiki/Q4785462 |
| concepts[1].display_name | Natural (archaeology) |
| concepts[2].id | https://openalex.org/C121332964 |
| concepts[2].level | 0 |
| concepts[2].score | 0.47851359844207764 |
| concepts[2].wikidata | https://www.wikidata.org/wiki/Q413 |
| concepts[2].display_name | Physics |
| concepts[3].id | https://openalex.org/C121864883 |
| concepts[3].level | 1 |
| concepts[3].score | 0.42815542221069336 |
| concepts[3].wikidata | https://www.wikidata.org/wiki/Q677916 |
| concepts[3].display_name | Statistical physics |
| concepts[4].id | https://openalex.org/C130188946 |
| concepts[4].level | 3 |
| concepts[4].score | 0.4264858067035675 |
| concepts[4].wikidata | https://www.wikidata.org/wiki/Q4391470 |
| concepts[4].display_name | Natural bond orbital |
| concepts[5].id | https://openalex.org/C152365726 |
| concepts[5].level | 2 |
| concepts[5].score | 0.42455363273620605 |
| concepts[5].wikidata | https://www.wikidata.org/wiki/Q1048589 |
| concepts[5].display_name | Density functional theory |
| concepts[6].id | https://openalex.org/C41999313 |
| concepts[6].level | 1 |
| concepts[6].score | 0.3600233197212219 |
| concepts[6].wikidata | https://www.wikidata.org/wiki/Q489328 |
| concepts[6].display_name | Molecular physics |
| concepts[7].id | https://openalex.org/C62520636 |
| concepts[7].level | 1 |
| concepts[7].score | 0.3019886910915375 |
| concepts[7].wikidata | https://www.wikidata.org/wiki/Q944 |
| concepts[7].display_name | Quantum mechanics |
| concepts[8].id | https://openalex.org/C33923547 |
| concepts[8].level | 0 |
| concepts[8].score | 0.2693637013435364 |
| concepts[8].wikidata | https://www.wikidata.org/wiki/Q395 |
| concepts[8].display_name | Mathematics |
| concepts[9].id | https://openalex.org/C2524010 |
| concepts[9].level | 1 |
| concepts[9].score | 0.17234370112419128 |
| concepts[9].wikidata | https://www.wikidata.org/wiki/Q8087 |
| concepts[9].display_name | Geometry |
| concepts[10].id | https://openalex.org/C127313418 |
| concepts[10].level | 0 |
| concepts[10].score | 0.11921533942222595 |
| concepts[10].wikidata | https://www.wikidata.org/wiki/Q1069 |
| concepts[10].display_name | Geology |
| concepts[11].id | https://openalex.org/C151730666 |
| concepts[11].level | 1 |
| concepts[11].score | 0.09038853645324707 |
| concepts[11].wikidata | https://www.wikidata.org/wiki/Q7205 |
| concepts[11].display_name | Paleontology |
| keywords[0].id | https://openalex.org/keywords/correlation |
| keywords[0].score | 0.5006177425384521 |
| keywords[0].display_name | Correlation |
| keywords[1].id | https://openalex.org/keywords/natural |
| keywords[1].score | 0.49178341031074524 |
| keywords[1].display_name | Natural (archaeology) |
| keywords[2].id | https://openalex.org/keywords/physics |
| keywords[2].score | 0.47851359844207764 |
| keywords[2].display_name | Physics |
| keywords[3].id | https://openalex.org/keywords/statistical-physics |
| keywords[3].score | 0.42815542221069336 |
| keywords[3].display_name | Statistical physics |
| keywords[4].id | https://openalex.org/keywords/natural-bond-orbital |
| keywords[4].score | 0.4264858067035675 |
| keywords[4].display_name | Natural bond orbital |
| keywords[5].id | https://openalex.org/keywords/density-functional-theory |
| keywords[5].score | 0.42455363273620605 |
| keywords[5].display_name | Density functional theory |
| keywords[6].id | https://openalex.org/keywords/molecular-physics |
| keywords[6].score | 0.3600233197212219 |
| keywords[6].display_name | Molecular physics |
| keywords[7].id | https://openalex.org/keywords/quantum-mechanics |
| keywords[7].score | 0.3019886910915375 |
| keywords[7].display_name | Quantum mechanics |
| keywords[8].id | https://openalex.org/keywords/mathematics |
| keywords[8].score | 0.2693637013435364 |
| keywords[8].display_name | Mathematics |
| keywords[9].id | https://openalex.org/keywords/geometry |
| keywords[9].score | 0.17234370112419128 |
| keywords[9].display_name | Geometry |
| keywords[10].id | https://openalex.org/keywords/geology |
| keywords[10].score | 0.11921533942222595 |
| keywords[10].display_name | Geology |
| keywords[11].id | https://openalex.org/keywords/paleontology |
| keywords[11].score | 0.09038853645324707 |
| keywords[11].display_name | Paleontology |
| language | en |
| locations[0].id | doi:10.1016/j.cplett.2024.141144 |
| locations[0].is_oa | True |
| locations[0].source.id | https://openalex.org/S44567922 |
| locations[0].source.issn | 0009-2614, 1873-4448 |
| locations[0].source.type | journal |
| locations[0].source.is_oa | False |
| locations[0].source.issn_l | 0009-2614 |
| locations[0].source.is_core | True |
| locations[0].source.is_in_doaj | False |
| locations[0].source.display_name | Chemical Physics Letters |
| locations[0].source.host_organization | https://openalex.org/P4310320990 |
| locations[0].source.host_organization_name | Elsevier BV |
| locations[0].source.host_organization_lineage | https://openalex.org/P4310320990 |
| locations[0].source.host_organization_lineage_names | Elsevier BV |
| locations[0].license | cc-by |
| locations[0].pdf_url | |
| locations[0].version | publishedVersion |
| locations[0].raw_type | journal-article |
| locations[0].license_id | https://openalex.org/licenses/cc-by |
| locations[0].is_accepted | True |
| locations[0].is_published | True |
| locations[0].raw_source_name | Chemical Physics Letters |
| locations[0].landing_page_url | https://doi.org/10.1016/j.cplett.2024.141144 |
| indexed_in | crossref |
| authorships[0].author.id | https://openalex.org/A5104962621 |
| authorships[0].author.orcid | https://orcid.org/0009-0004-0121-0496 |
| authorships[0].author.display_name | Réka A. Horváth |
| authorships[0].countries | GB |
| authorships[0].affiliations[0].institution_ids | https://openalex.org/I40120149 |
| authorships[0].affiliations[0].raw_affiliation_string | University of Oxford, South Parks Road, Oxford, OX1 3QZ, UK |
| authorships[0].institutions[0].id | https://openalex.org/I40120149 |
| authorships[0].institutions[0].ror | https://ror.org/052gg0110 |
| authorships[0].institutions[0].type | education |
| authorships[0].institutions[0].lineage | https://openalex.org/I40120149 |
| authorships[0].institutions[0].country_code | GB |
| authorships[0].institutions[0].display_name | University of Oxford |
| authorships[0].author_position | first |
| authorships[0].raw_author_name | Réka A. Horváth |
| authorships[0].is_corresponding | False |
| authorships[0].raw_affiliation_strings | University of Oxford, South Parks Road, Oxford, OX1 3QZ, UK |
| authorships[1].author.id | https://openalex.org/A5053618342 |
| authorships[1].author.orcid | https://orcid.org/0000-0001-5404-9721 |
| authorships[1].author.display_name | Kesha Sorathia |
| authorships[1].countries | GB |
| authorships[1].affiliations[0].institution_ids | https://openalex.org/I40120149 |
| authorships[1].affiliations[0].raw_affiliation_string | University of Oxford, South Parks Road, Oxford, OX1 3QZ, UK |
| authorships[1].institutions[0].id | https://openalex.org/I40120149 |
| authorships[1].institutions[0].ror | https://ror.org/052gg0110 |
| authorships[1].institutions[0].type | education |
| authorships[1].institutions[0].lineage | https://openalex.org/I40120149 |
| authorships[1].institutions[0].country_code | GB |
| authorships[1].institutions[0].display_name | University of Oxford |
| authorships[1].author_position | middle |
| authorships[1].raw_author_name | Kesha Sorathia |
| authorships[1].is_corresponding | False |
| authorships[1].raw_affiliation_strings | University of Oxford, South Parks Road, Oxford, OX1 3QZ, UK |
| authorships[2].author.id | https://openalex.org/A5093025969 |
| authorships[2].author.orcid | |
| authorships[2].author.display_name | Isabelle Saint |
| authorships[2].countries | GB |
| authorships[2].affiliations[0].institution_ids | https://openalex.org/I40120149 |
| authorships[2].affiliations[0].raw_affiliation_string | University of Oxford, South Parks Road, Oxford, OX1 3QZ, UK |
| authorships[2].institutions[0].id | https://openalex.org/I40120149 |
| authorships[2].institutions[0].ror | https://ror.org/052gg0110 |
| authorships[2].institutions[0].type | education |
| authorships[2].institutions[0].lineage | https://openalex.org/I40120149 |
| authorships[2].institutions[0].country_code | GB |
| authorships[2].institutions[0].display_name | University of Oxford |
| authorships[2].author_position | middle |
| authorships[2].raw_author_name | Isabelle Saint |
| authorships[2].is_corresponding | False |
| authorships[2].raw_affiliation_strings | University of Oxford, South Parks Road, Oxford, OX1 3QZ, UK |
| authorships[3].author.id | https://openalex.org/A5058596787 |
| authorships[3].author.orcid | https://orcid.org/0000-0002-3220-4177 |
| authorships[3].author.display_name | David P. Tew |
| authorships[3].countries | GB |
| authorships[3].affiliations[0].institution_ids | https://openalex.org/I40120149 |
| authorships[3].affiliations[0].raw_affiliation_string | University of Oxford, South Parks Road, Oxford, OX1 3QZ, UK |
| authorships[3].institutions[0].id | https://openalex.org/I40120149 |
| authorships[3].institutions[0].ror | https://ror.org/052gg0110 |
| authorships[3].institutions[0].type | education |
| authorships[3].institutions[0].lineage | https://openalex.org/I40120149 |
| authorships[3].institutions[0].country_code | GB |
| authorships[3].institutions[0].display_name | University of Oxford |
| authorships[3].author_position | last |
| authorships[3].raw_author_name | David P. Tew |
| authorships[3].is_corresponding | True |
| authorships[3].raw_affiliation_strings | University of Oxford, South Parks Road, Oxford, OX1 3QZ, UK |
| has_content.pdf | False |
| has_content.grobid_xml | False |
| is_paratext | False |
| open_access.is_oa | True |
| open_access.oa_url | https://doi.org/10.1016/j.cplett.2024.141144 |
| open_access.oa_status | hybrid |
| open_access.any_repository_has_fulltext | False |
| created_date | 2025-10-10T00:00:00 |
| display_name | Which model density is best in pair natural orbital local correlation theory? |
| has_fulltext | False |
| is_retracted | False |
| updated_date | 2025-11-06T03:46:38.306776 |
| primary_topic.id | https://openalex.org/T10591 |
| primary_topic.field.id | https://openalex.org/fields/31 |
| primary_topic.field.display_name | Physics and Astronomy |
| primary_topic.score | 0.9556999802589417 |
| primary_topic.domain.id | https://openalex.org/domains/3 |
| primary_topic.domain.display_name | Physical Sciences |
| primary_topic.subfield.id | https://openalex.org/subfields/3104 |
| primary_topic.subfield.display_name | Condensed Matter Physics |
| primary_topic.display_name | Theoretical and Computational Physics |
| related_works | https://openalex.org/W2357997902, https://openalex.org/W2044923705, https://openalex.org/W2081503214, https://openalex.org/W2016903472, https://openalex.org/W2749160959, https://openalex.org/W2058066700, https://openalex.org/W2947805394, https://openalex.org/W2560729439, https://openalex.org/W4304148456, https://openalex.org/W2349074976 |
| cited_by_count | 0 |
| locations_count | 1 |
| best_oa_location.id | doi:10.1016/j.cplett.2024.141144 |
| best_oa_location.is_oa | True |
| best_oa_location.source.id | https://openalex.org/S44567922 |
| best_oa_location.source.issn | 0009-2614, 1873-4448 |
| best_oa_location.source.type | journal |
| best_oa_location.source.is_oa | False |
| best_oa_location.source.issn_l | 0009-2614 |
| best_oa_location.source.is_core | True |
| best_oa_location.source.is_in_doaj | False |
| best_oa_location.source.display_name | Chemical Physics Letters |
| best_oa_location.source.host_organization | https://openalex.org/P4310320990 |
| best_oa_location.source.host_organization_name | Elsevier BV |
| best_oa_location.source.host_organization_lineage | https://openalex.org/P4310320990 |
| best_oa_location.source.host_organization_lineage_names | Elsevier BV |
| best_oa_location.license | cc-by |
| best_oa_location.pdf_url | |
| best_oa_location.version | publishedVersion |
| best_oa_location.raw_type | journal-article |
| best_oa_location.license_id | https://openalex.org/licenses/cc-by |
| best_oa_location.is_accepted | True |
| best_oa_location.is_published | True |
| best_oa_location.raw_source_name | Chemical Physics Letters |
| best_oa_location.landing_page_url | https://doi.org/10.1016/j.cplett.2024.141144 |
| primary_location.id | doi:10.1016/j.cplett.2024.141144 |
| primary_location.is_oa | True |
| primary_location.source.id | https://openalex.org/S44567922 |
| primary_location.source.issn | 0009-2614, 1873-4448 |
| primary_location.source.type | journal |
| primary_location.source.is_oa | False |
| primary_location.source.issn_l | 0009-2614 |
| primary_location.source.is_core | True |
| primary_location.source.is_in_doaj | False |
| primary_location.source.display_name | Chemical Physics Letters |
| primary_location.source.host_organization | https://openalex.org/P4310320990 |
| primary_location.source.host_organization_name | Elsevier BV |
| primary_location.source.host_organization_lineage | https://openalex.org/P4310320990 |
| primary_location.source.host_organization_lineage_names | Elsevier BV |
| primary_location.license | cc-by |
| primary_location.pdf_url | |
| primary_location.version | publishedVersion |
| primary_location.raw_type | journal-article |
| primary_location.license_id | https://openalex.org/licenses/cc-by |
| primary_location.is_accepted | True |
| primary_location.is_published | True |
| primary_location.raw_source_name | Chemical Physics Letters |
| primary_location.landing_page_url | https://doi.org/10.1016/j.cplett.2024.141144 |
| publication_date | 2024-02-19 |
| publication_year | 2024 |
| referenced_works | https://openalex.org/W2234552091, https://openalex.org/W2094536236, https://openalex.org/W2813651344, https://openalex.org/W2970397043, https://openalex.org/W4382502444, https://openalex.org/W1588589081, https://openalex.org/W1999440372, https://openalex.org/W2023006311, https://openalex.org/W2014015984, https://openalex.org/W2108559438, https://openalex.org/W2046679184, https://openalex.org/W2014209007, https://openalex.org/W1998705691, https://openalex.org/W3097686761, https://openalex.org/W2995638684, https://openalex.org/W2766033847, https://openalex.org/W3083957614, https://openalex.org/W3213086071, https://openalex.org/W4211021194, https://openalex.org/W3002480413, https://openalex.org/W2018674598, https://openalex.org/W2562379986, https://openalex.org/W3007776841, https://openalex.org/W1988091937, https://openalex.org/W2119547517, https://openalex.org/W2147626542, https://openalex.org/W2069006374, https://openalex.org/W2064798852, https://openalex.org/W2147303166, https://openalex.org/W2980449216, https://openalex.org/W2086445382, https://openalex.org/W1980240375, https://openalex.org/W2046807107, https://openalex.org/W2049303112, https://openalex.org/W2782113496, https://openalex.org/W2775561819, https://openalex.org/W2810062942, https://openalex.org/W2507206719, https://openalex.org/W2963186182, https://openalex.org/W2914180558, https://openalex.org/W1990863031, https://openalex.org/W2754419863, https://openalex.org/W2611394338, https://openalex.org/W2060442744, https://openalex.org/W4393030733, https://openalex.org/W4253472681 |
| referenced_works_count | 46 |
| abstract_inverted_index.1 | 75 |
| abstract_inverted_index.a | 14 |
| abstract_inverted_index.We | 42 |
| abstract_inverted_index.be | 63 |
| abstract_inverted_index.by | 19 |
| abstract_inverted_index.in | 67, 92 |
| abstract_inverted_index.of | 23, 33, 89, 95 |
| abstract_inverted_index.on | 5 |
| abstract_inverted_index.to | 38 |
| abstract_inverted_index.we | 29 |
| abstract_inverted_index.(T) | 97 |
| abstract_inverted_index.and | 54, 84 |
| abstract_inverted_index.are | 71 |
| abstract_inverted_index.but | 56 |
| abstract_inverted_index.for | 26, 78 |
| abstract_inverted_index.has | 12 |
| abstract_inverted_index.the | 6, 20, 31, 34, 49, 68, 85, 93, 96 |
| abstract_inverted_index.CCSD | 69 |
| abstract_inverted_index.best | 50 |
| abstract_inverted_index.cost | 53 |
| abstract_inverted_index.even | 77 |
| abstract_inverted_index.find | 43 |
| abstract_inverted_index.for. | 65 |
| abstract_inverted_index.lies | 91 |
| abstract_inverted_index.must | 62 |
| abstract_inverted_index.pair | 7 |
| abstract_inverted_index.role | 32 |
| abstract_inverted_index.that | 44 |
| abstract_inverted_index.then | 72 |
| abstract_inverted_index.used | 37 |
| abstract_inverted_index.well | 73 |
| abstract_inverted_index.with | 80 |
| abstract_inverted_index.based | 4 |
| abstract_inverted_index.below | 74 |
| abstract_inverted_index.large | 24 |
| abstract_inverted_index.model | 35 |
| abstract_inverted_index.tool. | 17 |
| abstract_inverted_index.Errors | 66 |
| abstract_inverted_index.assess | 30 |
| abstract_inverted_index.become | 13 |
| abstract_inverted_index.energy | 70, 98 |
| abstract_inverted_index.errors | 25, 90 |
| abstract_inverted_index.recent | 21 |
| abstract_inverted_index.source | 88 |
| abstract_inverted_index.theory | 3, 47 |
| abstract_inverted_index.between | 52, 58 |
| abstract_inverted_index.density | 36 |
| abstract_inverted_index.discard | 39 |
| abstract_inverted_index.natural | 8 |
| abstract_inverted_index.orbital | 9 |
| abstract_inverted_index.primary | 86 |
| abstract_inverted_index.coupling | 57 |
| abstract_inverted_index.electron | 1 |
| abstract_inverted_index.moderate | 81 |
| abstract_inverted_index.occupied | 60 |
| abstract_inverted_index.orbitals | 61 |
| abstract_inverted_index.powerful | 15 |
| abstract_inverted_index.provides | 48 |
| abstract_inverted_index.Motivated | 18 |
| abstract_inverted_index.accounted | 64 |
| abstract_inverted_index.accuracy, | 55 |
| abstract_inverted_index.discovery | 22 |
| abstract_inverted_index.kcal/mol, | 76 |
| abstract_inverted_index.localised | 59 |
| abstract_inverted_index.molecules | 79 |
| abstract_inverted_index.remaining | 87 |
| abstract_inverted_index.treatment | 94 |
| abstract_inverted_index.character, | 83 |
| abstract_inverted_index.compromise | 51 |
| abstract_inverted_index.molecules, | 28 |
| abstract_inverted_index.Low-scaling | 0 |
| abstract_inverted_index.correlation | 2 |
| abstract_inverted_index.unimportant | 40 |
| abstract_inverted_index.PNO-CCSD(T), | 11 |
| abstract_inverted_index.perturbation | 46 |
| abstract_inverted_index.second-order | 45 |
| abstract_inverted_index.computational | 16 |
| abstract_inverted_index.contribution. | 99 |
| abstract_inverted_index.approximation, | 10 |
| abstract_inverted_index.contributions. | 41 |
| abstract_inverted_index.organometallic | 27 |
| abstract_inverted_index.multi-reference | 82 |
| cited_by_percentile_year | |
| corresponding_author_ids | https://openalex.org/A5058596787 |
| countries_distinct_count | 1 |
| institutions_distinct_count | 4 |
| corresponding_institution_ids | https://openalex.org/I40120149 |
| sustainable_development_goals[0].id | https://metadata.un.org/sdg/7 |
| sustainable_development_goals[0].score | 0.8700000047683716 |
| sustainable_development_goals[0].display_name | Affordable and clean energy |
| citation_normalized_percentile.value | 0.02164652 |
| citation_normalized_percentile.is_in_top_1_percent | False |
| citation_normalized_percentile.is_in_top_10_percent | False |