About: Use of gradient-corrected functionals in total-energy calculations for solids

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scientific article published on 01 October 1992

Attributes	Values
rdf:type	Item
description	wetenschappelijk artikel (nl) наукова стаття, опублікована в жовтні 1992 (uk) im Oktober 1992 veröffentlichter wissenschaftlicher Artikel (de) article scientifique publié en 1992 (fr) artículu científicu espublizáu n'ochobre de 1992 (ast) scientific article published on 01 October 1992 (en)
publication date	wds:Q74364617-19AE7E9B-E721-4B29-937F-6EB38FE59FC3
publication date	1992-10-01 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q74364617-36A4953D-12E8-4F63-ADA9-D770429A2331
language of work or name	English
cites work	wds:Q74364617-04C11189-E881-485E-95BF-A39AF430186D wds:Q74364617-16DE80B6-E4B5-4883-AC24-DBB3D3A9DAD6 wds:Q74364617-19D87157-4CED-4C88-A103-35D3FF3D5D02 wds:Q74364617-2EFF8DF4-E284-49B0-A1DC-03CD4E0A23B9 wds:Q74364617-30AA550E-7487-47BE-8944-4A45509462E8 wds:Q74364617-4365648A-1035-49A5-A987-1916FDE966F0 wds:Q74364617-51848A38-7385-4A80-8F96-5A3AB0BB8D16 wds:Q74364617-5FD69432-63CC-4AA7-A19A-D9AA9B291F39 wds:Q74364617-6073C77D-300D-4042-9BB4-C4540C31778A wds:Q74364617-76AF2898-D2EB-4CEF-9BE6-667A2388A8C0 wds:Q74364617-7A8D39E6-74A3-4A7E-A383-C177E7FE7ED3 wds:Q74364617-850891A8-1C95-422C-AE05-07878DA4CB31 wds:Q74364617-A0A9E0E4-6907-49E2-B92C-B617C77E5145 wds:Q74364617-BD73AF41-F69E-4271-B1DE-979597235571 wds:Q74364617-BD9EB659-A3F8-4B54-A506-9437560D0393 wds:Q74364617-C9CF34BB-6AB8-45AC-A7C6-65D991A9A2AD wds:Q74364617-D722B736-AB26-4E22-801A-287B543B2E33 wds:Q74364617-D8826A06-6DD4-4317-A826-236B3425B299 wds:Q74364617-DA2304CC-72EA-430A-AAF6-6CB73362DEEC wds:Q74364617-E5B90D9C-D481-4133-AEAF-3BD0A0D21CEB wds:Q74364617-E61A0E7E-9CD5-4BF2-A540-5B6C3CE2F030 wds:Q74364617-EA62A624-71BD-4489-B948-7D7530C1DDE3 wds:Q74364617-ED45B09D-1AA1-4284-8EA4-02661EA3E6E8 wds:Q74364617-F6017A25-D898-41B6-8E7D-3850FC72650B wds:Q74364617-FD6947E2-D367-4C82-BBBE-FB41226BA7C0
cites work	Density-functional exchange-energy approximation with correct asymptotic behavior Nonlinear ionic pseudopotentials in spin-density-functional calculations Inhomogeneous Electron Gas Self-Consistent Equations Including Exchange and Correlation Effects Self-interaction correction to density-functional approximations for many-electron systems First-principles pseudopotential calculations of magnetic iron Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation Ground-state properties of third-row elements with nonlocal density functionals Efficient pseudopotentials for plane-wave calculations Density-functional approximation for the correlation energy of the inhomogeneous electron gas Optimally smooth norm-conserving pseudopotentials Erratum: Voltage-dependent scanning-tunneling microscopy of a crystal surface: Graphite Norm-Conserving Pseudopotentials Self-consistent implementation of nonlocal exchange and correlation in a Gaussian density-functional method Pseudopotential methods in condensed matter applications Beyond the local-density approximation in calculations of ground-state electronic properties Nonlocality in the density-functional description of bonding in Li2, N2, O2, and F2. Gradient-corrected pseudopotential calculations in semiconductors Cohesive and electronic properties of transition metals: The generalized gradient approximation Theory of magnetic and structural ordering in iron Energies of atoms with nonspherical charge densities calculated with nonlocal density-functional theory Cohesive properties of crystalline solids by the generalized gradient approximation Gradient-corrected density functionals: Full-potential calculations for iron Pseudopotentials for non-local-density functionals Predicting new solids and superconductors
author name string	wds:Q74364617-30D0D75A-46CE-4918-B606-22FCFF182CD7 wds:Q74364617-3562CF9E-4566-42DF-9A5C-4079E29A37B5 wds:Q74364617-73250EC0-A9E5-4DF0-AA9F-836BBA7D25C3 wds:Q74364617-B14614DF-C61C-4E35-804C-E3F8EB3B99D0 wds:Q74364617-BD8352E5-72E3-4235-901E-0DA4B4E1452F
author name string	Cohen ML Zhu J García A Louie SG Elsässer C
rdfs:label	Use of gradient-corrected functionals in total-energy calculations for solids (en) Use of gradient-corrected functionals in total-energy calculations for solids (nl)
skos:prefLabel	Use of gradient-corrected functionals in total-energy calculations for solids (en) Use of gradient-corrected functionals in total-energy calculations for solids (nl)
name	Use of gradient-corrected functionals in total-energy calculations for solids (en) Use of gradient-corrected functionals in total-energy calculations for solids (nl)
title	wds:Q74364617-D8B25CFF-7F57-48BE-8866-3AD595390CD7
title	Use of gradient-corrected functionals in total-energy calculations for solids (en)
page(s)	wds:Q74364617-BDDCAFC9-C524-432D-A1FF-0C57CA09A6A1
page(s)	9829-9832
instance of	wds:Q74364617-C594CF25-AACB-49E1-AF86-AFF274CF278D
instance of	scholarly article
PubMed ID	wds:Q74364617-654962FE-DBC9-4350-8FBD-808415AE484E
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/10002806
PubMed ID	10002806
published in	wds:Q74364617-0E35A746-8D12-4A89-A5D1-A7C72D7084EB
published in	Physical Review B
issue	wds:Q74364617-9A41D066-65F9-4876-B902-A5452C4469AE
volume	wds:Q74364617-50D12DF1-98AD-4AB6-95BF-D00B348A45A4
issue	15
volume	46
DOI	wds:Q74364617-19032516-0646-4FB3-BF7C-82CD16CA6683
DOI	http://dx.doi.org/10.1103/PHYSREVB.46.9829
DOI	10.1103/PHYSREVB.46.9829
corrigendum / erratum	wds:Q74364617-4BF5DF55-99CA-4083-B6AA-2360E9F70DEC
corrigendum / erratum	Erratum: Use of gradient-corrected functionals in total-energy calculations for solids
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q74364617
is cites work of	Finding transition states for crystalline solid-solid phase transformations Ab initiocalculations of the phase-transition mechanism in potassium thiocyanate

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