About: Electron affinities of the first- and second-row atoms: Benchmarkab initioand density-functional calculations

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article by Glênisson de Oliveira et al published 1 August 1999 in Physical Review A

Attributes	Values
rdf:type	Item
description	wetenschappelijk artikel (nl) наукова стаття, опублікована в серпні 1999 (uk) article scientifique publié en 1999 (fr) im August 1999 veröffentlichter wissenschaftlicher Artikel (de) article by Glênisson de Oliveira et al published 1 August 1999 in Physical Review A (en)
publication date	wds:Q58738834-41A4047D-77FA-4612-8EAE-5ADD170E021A
publication date	1999-08-01 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q58738834-4A0DCF31-84AA-4F01-B79D-7668D5BC584E
language of work or name	English
cites work	wds:Q58738834-0AA4D24B-56E1-48FE-9BBF-884F447AE070 wds:Q58738834-1508DFA7-C694-4BD0-8587-C3573E435B92 wds:Q58738834-16BF8A4D-2AB9-4FEF-A2FF-F1F895986044 wds:Q58738834-1BAF5F9D-6896-46FA-AA7F-EC5957CECA60 wds:Q58738834-28CDB06B-81FF-4B66-BFAE-E1B658234F5B wds:Q58738834-2A574A4F-065D-4DC0-AAF3-889D0756DF72 wds:Q58738834-31BAEC64-00BF-453E-BF08-9121CCDC2863 wds:Q58738834-39EFD6C1-264C-45D5-BFC1-6F10C8C5A321 wds:Q58738834-3C1F6802-C0A3-4FBC-BF5A-EC7FB43B1F75 wds:Q58738834-3ED1C034-251C-4BCF-8135-7DC73849DFFD wds:Q58738834-43954AA5-8911-4D95-8C92-DEA246D8522A wds:Q58738834-4C625485-05F4-4D06-8A3C-7383D11C6093 wds:Q58738834-4DF6A309-FB1F-499A-B638-FC125FE0E94F wds:Q58738834-559394BE-EF97-4213-A24A-16A10F07A6B6 wds:Q58738834-6C3BAB74-0B74-4606-8BE4-0DD5BAF36E5F wds:Q58738834-74329AB9-8DFA-4D1D-A5A0-B668D887EE09 wds:Q58738834-907B81E6-1971-44D6-A0AD-28586E792808 wds:Q58738834-970040A0-F8EE-4E69-B343-B27BDC0308CE wds:Q58738834-AE3665D8-88C1-467B-A455-D8326106BBC5 wds:Q58738834-C9D3E273-139D-40FF-9C71-4B54B356418F wds:Q58738834-CDE8E33B-54F1-4E49-82FA-C38776FEBCBA wds:Q58738834-CF7355FF-C333-4E68-B50C-53E039F19B8A wds:Q58738834-DB70BAA4-D3E2-48E7-808D-80E05315BAC8 wds:Q58738834-DFBED2C1-49AA-406C-9A5C-126A85BD9321 wds:Q58738834-FB481147-63DD-4DF9-BCE3-F993FB18B584
cites work	Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density Density-functional thermochemistry. III. The role of exact exchange Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen Density-functional exchange-energy approximation with correct asymptotic behavior Rationale for mixing exact exchange with density functional approximations Ground State of the Electron Gas by a Stochastic Method Self-Consistent Equations Including Exchange and Correlation Effects Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation Self-interaction correction to density-functional approximations for many-electron systems A fifth-order perturbation comparison of electron correlation theories A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples Basis-set convergence in correlated calculations on Ne, N2, and H2O Ab initio total atomization energies of small molecules — towards the basis set limit Gaussian-3 (G3) theory for molecules containing first and second-row atoms Gaussian‐2 theory for molecular energies of first‐ and second‐row compounds Density-functional approximation for the correlation energy of the inhomogeneous electron gas Negative Ion of Boron: An Experimental Study of the 3 P Ground State Threshold photodetachment of Al − : Electron affinity and fine structure A new determinant-based full configuration interaction method Empirical density functionals Density-functional theory using an optimized exchange-correlation potential Basis set convergence for geometry and harmonic frequencies. Are h functions enough? On the effect of core correlation on the geometry and harmonic frequencies of small polyatomic molecules Relativistic corrections to the atomic electron affinities.
author name string	wds:Q58738834-7EEFD9D0-4F74-4E42-AF49-7FA0C0E2F377 wds:Q58738834-EB747B17-53BB-40FB-89A1-DDE8FC82DF9E wds:Q58738834-F4E9A707-3606-4132-B8DF-865A8770E0CB wds:Q58738834-FC0E4EB7-D49F-4880-A077-BDB8DF6C9AAB
author name string	Paul Geerlings Frank de Proft Jan M. L. Martin Glênisson de Oliveira
rdfs:label	Electron affinities of the first- and second-row atoms: Benchmarkab initioand density-functional calculations (en) Electron affinities of the first- and second-row atoms: Benchmarkab initioand density-functional calculations (nl)
skos:prefLabel	Electron affinities of the first- and second-row atoms: Benchmarkab initioand density-functional calculations (en) Electron affinities of the first- and second-row atoms: Benchmarkab initioand density-functional calculations (nl)
name	Electron affinities of the first- and second-row atoms: Benchmarkab initioand density-functional calculations (en) Electron affinities of the first- and second-row atoms: Benchmarkab initioand density-functional calculations (nl)
title	wds:Q58738834-85CECDE9-5557-498B-A651-F052128FAADB
title	Electron affinities of the first- and second-row atoms: Benchmarkab initioand density-functional calculations (en)
page(s)	wds:Q58738834-1EF1E9FC-43E2-4BBE-B6D6-E801C5987AF5
page(s)	1034-1045
instance of	wds:Q58738834-C976C86F-7845-4387-8EEE-EF622FD44F77
instance of	scholarly article
published in	wds:Q58738834-648DBCD2-C4D0-4D3D-9E42-2F8439D3C3AA
published in	Physical Review A
issue	wds:Q58738834-5DCE2D0A-801B-410C-80D4-BE2B41B23ADE
volume	wds:Q58738834-AB306997-AEEA-4379-8480-54BCFAFA28E8
issue	2
volume	60
DOI	wds:Q58738834-B5A834F7-FC6D-4E0C-B067-665DB27D3674
DOI	http://dx.doi.org/10.1103/PHYSREVA.60.1034
DOI	10.1103/PHYSREVA.60.1034
arXiv ID	wds:Q58738834-4461DC45-5A13-4F61-98C4-CEC7A7AC250A
arXiv ID	physics/9902026
ADS bibcode	wds:Q58738834-3B22D1DF-EC14-4CE6-AE83-C44B5671418B
ADS bibcode	1999PhRvA..60.1034D
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q58738834
is cites work of	Conceptual Density Functional Theory W3 theory: robust computational thermochemistry in the kJ/mol accuracy range Toward a W4-F12 approach: Can explicitly correlated and orbital-based ab initio CCSD(T) limits be reconciled? Thermochemical analysis of core correlation and scalar relativistic effects on molecular atomization energies Density functional theory is straying from the path toward the exact functional. Copper complexes of nicotinic-aromatic carboxylic acids as superoxide dismutase mimetics

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