Matches in SemOpenAlex for { <https://semopenalex.org/work/W2023331410> ?p ?o ?g. }
Showing items 1 to 91 of
91
with 100 items per page.
- W2023331410 endingPage "745" @default.
- W2023331410 startingPage "733" @default.
- W2023331410 abstract "The problem of linear dependence in basis-set calculations for extended systems is discussed. We show that the problem is intrinsic in three-dimensionally extended systems, but is not as serious in systems with extension in fewer dimensions. The possibility of choosing suitable basis sets that avoid linear dependence is discussed. It is shown that for systems extended in three dimensions in which the orbitals near the Fermi-level are well described by plane waves a mixed atomicorbital/plane-wave (AO–PW) basis set with tight orbitals to describe the cores avoids the problem in the most efficient way. Numerical experiments with 1s Slater-type orbitals and plane waves on a simple cubic lattice are presented for illustration. © 1992 John Wiley & Sons, Inc." @default.
- W2023331410 created "2016-06-24" @default.
- W2023331410 creator A5046402564 @default.
- W2023331410 creator A5082036603 @default.
- W2023331410 date "1992-08-10" @default.
- W2023331410 modified "2023-09-27" @default.
- W2023331410 title "Linear dependence in basis-set calculations for extended systems" @default.
- W2023331410 cites W1985701409 @default.
- W2023331410 cites W1996163073 @default.
- W2023331410 cites W2014238141 @default.
- W2023331410 cites W2019069796 @default.
- W2023331410 cites W2020132738 @default.
- W2023331410 cites W2023119538 @default.
- W2023331410 cites W2025937746 @default.
- W2023331410 cites W2027642442 @default.
- W2023331410 cites W2065288425 @default.
- W2023331410 cites W2087752623 @default.
- W2023331410 cites W2127257395 @default.
- W2023331410 cites W2134119161 @default.
- W2023331410 cites W4210981797 @default.
- W2023331410 doi "https://doi.org/10.1002/qua.560430602" @default.
- W2023331410 hasPublicationYear "1992" @default.
- W2023331410 type Work @default.
- W2023331410 sameAs 2023331410 @default.
- W2023331410 citedByCount "8" @default.
- W2023331410 countsByYear W20233314102014 @default.
- W2023331410 countsByYear W20233314102020 @default.
- W2023331410 crossrefType "journal-article" @default.
- W2023331410 hasAuthorship W2023331410A5046402564 @default.
- W2023331410 hasAuthorship W2023331410A5082036603 @default.
- W2023331410 hasConcept C111472728 @default.
- W2023331410 hasConcept C121332964 @default.
- W2023331410 hasConcept C121864883 @default.
- W2023331410 hasConcept C12426560 @default.
- W2023331410 hasConcept C138885662 @default.
- W2023331410 hasConcept C147120987 @default.
- W2023331410 hasConcept C152365726 @default.
- W2023331410 hasConcept C17825722 @default.
- W2023331410 hasConcept C189394030 @default.
- W2023331410 hasConcept C24890656 @default.
- W2023331410 hasConcept C2524010 @default.
- W2023331410 hasConcept C2780586882 @default.
- W2023331410 hasConcept C2781204021 @default.
- W2023331410 hasConcept C33923547 @default.
- W2023331410 hasConcept C40308292 @default.
- W2023331410 hasConcept C50992991 @default.
- W2023331410 hasConcept C53848692 @default.
- W2023331410 hasConcept C62520636 @default.
- W2023331410 hasConcept C65956243 @default.
- W2023331410 hasConcept C80062241 @default.
- W2023331410 hasConceptScore W2023331410C111472728 @default.
- W2023331410 hasConceptScore W2023331410C121332964 @default.
- W2023331410 hasConceptScore W2023331410C121864883 @default.
- W2023331410 hasConceptScore W2023331410C12426560 @default.
- W2023331410 hasConceptScore W2023331410C138885662 @default.
- W2023331410 hasConceptScore W2023331410C147120987 @default.
- W2023331410 hasConceptScore W2023331410C152365726 @default.
- W2023331410 hasConceptScore W2023331410C17825722 @default.
- W2023331410 hasConceptScore W2023331410C189394030 @default.
- W2023331410 hasConceptScore W2023331410C24890656 @default.
- W2023331410 hasConceptScore W2023331410C2524010 @default.
- W2023331410 hasConceptScore W2023331410C2780586882 @default.
- W2023331410 hasConceptScore W2023331410C2781204021 @default.
- W2023331410 hasConceptScore W2023331410C33923547 @default.
- W2023331410 hasConceptScore W2023331410C40308292 @default.
- W2023331410 hasConceptScore W2023331410C50992991 @default.
- W2023331410 hasConceptScore W2023331410C53848692 @default.
- W2023331410 hasConceptScore W2023331410C62520636 @default.
- W2023331410 hasConceptScore W2023331410C65956243 @default.
- W2023331410 hasConceptScore W2023331410C80062241 @default.
- W2023331410 hasIssue "6" @default.
- W2023331410 hasLocation W20233314101 @default.
- W2023331410 hasOpenAccess W2023331410 @default.
- W2023331410 hasPrimaryLocation W20233314101 @default.
- W2023331410 hasRelatedWork W1875486440 @default.
- W2023331410 hasRelatedWork W1986937179 @default.
- W2023331410 hasRelatedWork W2016405827 @default.
- W2023331410 hasRelatedWork W2023331410 @default.
- W2023331410 hasRelatedWork W2069192211 @default.
- W2023331410 hasRelatedWork W2089128350 @default.
- W2023331410 hasRelatedWork W2135739713 @default.
- W2023331410 hasRelatedWork W2267820382 @default.
- W2023331410 hasRelatedWork W3174975366 @default.
- W2023331410 hasRelatedWork W4245313633 @default.
- W2023331410 hasVolume "43" @default.
- W2023331410 isParatext "false" @default.
- W2023331410 isRetracted "false" @default.
- W2023331410 magId "2023331410" @default.
- W2023331410 workType "article" @default.