Matches in SemOpenAlex for { <https://semopenalex.org/work/W2807397196> ?p ?o ?g. }
Showing items 1 to 85 of
85
with 100 items per page.
- W2807397196 endingPage "205" @default.
- W2807397196 startingPage "201" @default.
- W2807397196 abstract "Abstract The description of tunneling currents from non-equilibrium electronic structure using localized basis sets is very demanding. The problem stems from the lack of accuracy to describe evanescent waves in the tunneling barrier when the basis set is limited. The same problem exists for extended basis sets such as planewaves, except because increasing the number of planewaves simply improves the description. With local basis sets several strategies exist for improving the tunneling scattering structure. Here, we explore them and compare with previous work. Our conclusion is that using ghost atoms in self-consistent codes such as Transiesta is a valid and accurate way of performing tunneling calculations. However, attention must be paid not to break the symmetry of the transmission channels by incorrect inclusion of the ghost atom and to perform a fully self-consistent calculation to avoid ghost transmissions." @default.
- W2807397196 created "2018-06-13" @default.
- W2807397196 creator A5049785739 @default.
- W2807397196 creator A5070347564 @default.
- W2807397196 date "2018-12-01" @default.
- W2807397196 modified "2023-09-28" @default.
- W2807397196 title "Tunneling electronic currents simulated with localized basis sets" @default.
- W2807397196 cites W1965342298 @default.
- W2807397196 cites W1968426044 @default.
- W2807397196 cites W1973344553 @default.
- W2807397196 cites W1978516775 @default.
- W2807397196 cites W1985252301 @default.
- W2807397196 cites W1987165155 @default.
- W2807397196 cites W1989481374 @default.
- W2807397196 cites W1990849814 @default.
- W2807397196 cites W1999301101 @default.
- W2807397196 cites W2003682523 @default.
- W2807397196 cites W2006405358 @default.
- W2807397196 cites W2008961829 @default.
- W2807397196 cites W2010025670 @default.
- W2807397196 cites W2013730238 @default.
- W2807397196 cites W2021280109 @default.
- W2807397196 cites W2049422005 @default.
- W2807397196 cites W2074665638 @default.
- W2807397196 cites W2079105963 @default.
- W2807397196 cites W2081588334 @default.
- W2807397196 cites W2088603643 @default.
- W2807397196 cites W2094904077 @default.
- W2807397196 cites W2101292319 @default.
- W2807397196 cites W2102938440 @default.
- W2807397196 cites W2119773255 @default.
- W2807397196 cites W2166589212 @default.
- W2807397196 cites W2181641604 @default.
- W2807397196 cites W2507242032 @default.
- W2807397196 cites W2600498298 @default.
- W2807397196 cites W2766107146 @default.
- W2807397196 cites W3100591265 @default.
- W2807397196 cites W3125399591 @default.
- W2807397196 cites W596642015 @default.
- W2807397196 doi "https://doi.org/10.1016/j.susc.2018.05.021" @default.
- W2807397196 hasPublicationYear "2018" @default.
- W2807397196 type Work @default.
- W2807397196 sameAs 2807397196 @default.
- W2807397196 citedByCount "1" @default.
- W2807397196 countsByYear W28073971962020 @default.
- W2807397196 crossrefType "journal-article" @default.
- W2807397196 hasAuthorship W2807397196A5049785739 @default.
- W2807397196 hasAuthorship W2807397196A5070347564 @default.
- W2807397196 hasConcept C120398109 @default.
- W2807397196 hasConcept C121332964 @default.
- W2807397196 hasConcept C12426560 @default.
- W2807397196 hasConcept C192562407 @default.
- W2807397196 hasConcept C2524010 @default.
- W2807397196 hasConcept C26873012 @default.
- W2807397196 hasConcept C33923547 @default.
- W2807397196 hasConcept C6518042 @default.
- W2807397196 hasConceptScore W2807397196C120398109 @default.
- W2807397196 hasConceptScore W2807397196C121332964 @default.
- W2807397196 hasConceptScore W2807397196C12426560 @default.
- W2807397196 hasConceptScore W2807397196C192562407 @default.
- W2807397196 hasConceptScore W2807397196C2524010 @default.
- W2807397196 hasConceptScore W2807397196C26873012 @default.
- W2807397196 hasConceptScore W2807397196C33923547 @default.
- W2807397196 hasConceptScore W2807397196C6518042 @default.
- W2807397196 hasFunder F4320321837 @default.
- W2807397196 hasLocation W28073971961 @default.
- W2807397196 hasOpenAccess W2807397196 @default.
- W2807397196 hasPrimaryLocation W28073971961 @default.
- W2807397196 hasRelatedWork W1965690515 @default.
- W2807397196 hasRelatedWork W2007981061 @default.
- W2807397196 hasRelatedWork W2011483520 @default.
- W2807397196 hasRelatedWork W2049688663 @default.
- W2807397196 hasRelatedWork W2085248681 @default.
- W2807397196 hasRelatedWork W2087875871 @default.
- W2807397196 hasRelatedWork W2345407652 @default.
- W2807397196 hasRelatedWork W3092074615 @default.
- W2807397196 hasRelatedWork W3092610140 @default.
- W2807397196 hasRelatedWork W2418363429 @default.
- W2807397196 hasVolume "678" @default.
- W2807397196 isParatext "false" @default.
- W2807397196 isRetracted "false" @default.
- W2807397196 magId "2807397196" @default.
- W2807397196 workType "article" @default.