Matches in SemOpenAlex for { <https://semopenalex.org/work/W1979501875> ?p ?o ?g. }
- W1979501875 abstract "We discuss techniques for accelerating the self consistent field (SCF) iteration for solving the Kohn-Sham equations. These techniques are all based on constructing approximations to the inverse of the Jacobian associated with a fixed point map satisfied by the total potential. They can be viewed as preconditioners for a fixed point iteration. We point out different requirements for constructing preconditioners for insulating and metallic systems respectively, and discuss how to construct preconditioners to keep the convergence rate of the fixed point iteration independent of the size of the atomistic system. We propose a new preconditioner that can treat insulating and metallic system in a unified way. The new preconditioner, which we call an elliptic preconditioner, is constructed by solving an elliptic partial differential equation. The elliptic preconditioner is shown to be more effective in accelerating the convergence of a fixed point iteration than the existing approaches for large inhomogeneous systems at low temperature." @default.
- W1979501875 created "2016-06-24" @default.
- W1979501875 creator A5005718995 @default.
- W1979501875 creator A5015860750 @default.
- W1979501875 date "2012-06-11" @default.
- W1979501875 modified "2023-09-23" @default.
- W1979501875 title "Elliptic preconditioner for accelerating the self consistent field iteration in Kohn-Sham density functional theory" @default.
- W1979501875 cites W1486449984 @default.
- W1979501875 cites W1587001921 @default.
- W1979501875 cites W1966757299 @default.
- W1979501875 cites W1973786815 @default.
- W1979501875 cites W1974333117 @default.
- W1979501875 cites W1981368803 @default.
- W1979501875 cites W1981872991 @default.
- W1979501875 cites W1983354332 @default.
- W1979501875 cites W1993225506 @default.
- W1979501875 cites W2007395042 @default.
- W1979501875 cites W2012111359 @default.
- W1979501875 cites W2013183108 @default.
- W1979501875 cites W2023271753 @default.
- W1979501875 cites W2026907619 @default.
- W1979501875 cites W2030976617 @default.
- W1979501875 cites W2032975107 @default.
- W1979501875 cites W2033488292 @default.
- W1979501875 cites W2038281434 @default.
- W1979501875 cites W2049635189 @default.
- W1979501875 cites W2051979557 @default.
- W1979501875 cites W2052637367 @default.
- W1979501875 cites W2065152839 @default.
- W1979501875 cites W2066898005 @default.
- W1979501875 cites W2069464471 @default.
- W1979501875 cites W2071019270 @default.
- W1979501875 cites W2071363955 @default.
- W1979501875 cites W2071750684 @default.
- W1979501875 cites W2073773252 @default.
- W1979501875 cites W2083206954 @default.
- W1979501875 cites W2083222334 @default.
- W1979501875 cites W2086957099 @default.
- W1979501875 cites W2100514507 @default.
- W1979501875 cites W2102712155 @default.
- W1979501875 cites W2104757784 @default.
- W1979501875 cites W2107054201 @default.
- W1979501875 cites W2120145199 @default.
- W1979501875 cites W2140153041 @default.
- W1979501875 cites W2141704677 @default.
- W1979501875 cites W2151317657 @default.
- W1979501875 cites W2171303908 @default.
- W1979501875 cites W2230728100 @default.
- W1979501875 cites W3029645440 @default.
- W1979501875 doi "https://doi.org/10.48550/arxiv.1206.2225" @default.
- W1979501875 hasPublicationYear "2012" @default.
- W1979501875 type Work @default.
- W1979501875 sameAs 1979501875 @default.
- W1979501875 citedByCount "0" @default.
- W1979501875 crossrefType "posted-content" @default.
- W1979501875 hasAuthorship W1979501875A5005718995 @default.
- W1979501875 hasAuthorship W1979501875A5015860750 @default.
- W1979501875 hasBestOaLocation W19795018751 @default.
- W1979501875 hasConcept C121332964 @default.
- W1979501875 hasConcept C126255220 @default.
- W1979501875 hasConcept C134306372 @default.
- W1979501875 hasConcept C152365726 @default.
- W1979501875 hasConcept C159694833 @default.
- W1979501875 hasConcept C162324750 @default.
- W1979501875 hasConcept C167431342 @default.
- W1979501875 hasConcept C179603306 @default.
- W1979501875 hasConcept C200331156 @default.
- W1979501875 hasConcept C202444582 @default.
- W1979501875 hasConcept C26517878 @default.
- W1979501875 hasConcept C2777303404 @default.
- W1979501875 hasConcept C28826006 @default.
- W1979501875 hasConcept C33923547 @default.
- W1979501875 hasConcept C38652104 @default.
- W1979501875 hasConcept C41008148 @default.
- W1979501875 hasConcept C50522688 @default.
- W1979501875 hasConcept C54067925 @default.
- W1979501875 hasConcept C57869625 @default.
- W1979501875 hasConcept C62520636 @default.
- W1979501875 hasConcept C9059619 @default.
- W1979501875 hasConcept C93779851 @default.
- W1979501875 hasConcept C9652623 @default.
- W1979501875 hasConceptScore W1979501875C121332964 @default.
- W1979501875 hasConceptScore W1979501875C126255220 @default.
- W1979501875 hasConceptScore W1979501875C134306372 @default.
- W1979501875 hasConceptScore W1979501875C152365726 @default.
- W1979501875 hasConceptScore W1979501875C159694833 @default.
- W1979501875 hasConceptScore W1979501875C162324750 @default.
- W1979501875 hasConceptScore W1979501875C167431342 @default.
- W1979501875 hasConceptScore W1979501875C179603306 @default.
- W1979501875 hasConceptScore W1979501875C200331156 @default.
- W1979501875 hasConceptScore W1979501875C202444582 @default.
- W1979501875 hasConceptScore W1979501875C26517878 @default.
- W1979501875 hasConceptScore W1979501875C2777303404 @default.
- W1979501875 hasConceptScore W1979501875C28826006 @default.
- W1979501875 hasConceptScore W1979501875C33923547 @default.
- W1979501875 hasConceptScore W1979501875C38652104 @default.
- W1979501875 hasConceptScore W1979501875C41008148 @default.
- W1979501875 hasConceptScore W1979501875C50522688 @default.
- W1979501875 hasConceptScore W1979501875C54067925 @default.
- W1979501875 hasConceptScore W1979501875C57869625 @default.