Matches in SemOpenAlex for { <https://semopenalex.org/work/W2094397779> ?p ?o ?g. }
- W2094397779 abstract "When modeling a surface/interface using a slab geometry that imposes the periodic boundary condition, there are spurious dipole and higher-order multipole interactions with the image slabs. Here, we show that the effective screening medium (ESM) method [M. Otani and O. Sugino, Phys. Rev. B 73, 115407 (2006)] can deal with such electrostatic issues rigorously in a slab calculation. After benchmark calculations for a hypothetical water layer, we show that there is an error in the total energy caused by the multipole interaction, but this can be treated efficiently using the ESM method. The accurate treatment of the electrostatic interaction is essential for performing large-scale surface/interface calculations." @default.
- W2094397779 created "2016-06-24" @default.
- W2094397779 creator A5035293042 @default.
- W2094397779 creator A5049978464 @default.
- W2094397779 creator A5050292608 @default.
- W2094397779 creator A5057695281 @default.
- W2094397779 date "2009-10-14" @default.
- W2094397779 modified "2023-10-02" @default.
- W2094397779 title "Green’s function method for elimination of the spurious multipole interaction in the surface/interface slab model" @default.
- W2094397779 cites W1820138353 @default.
- W2094397779 cites W1971426850 @default.
- W2094397779 cites W1974401887 @default.
- W2094397779 cites W1981368803 @default.
- W2094397779 cites W1985095956 @default.
- W2094397779 cites W1986630587 @default.
- W2094397779 cites W1987497701 @default.
- W2094397779 cites W1989677470 @default.
- W2094397779 cites W1992037911 @default.
- W2094397779 cites W1992753351 @default.
- W2094397779 cites W1997542937 @default.
- W2094397779 cites W1998366223 @default.
- W2094397779 cites W2002070885 @default.
- W2094397779 cites W2008890403 @default.
- W2094397779 cites W2009596258 @default.
- W2094397779 cites W2010399743 @default.
- W2094397779 cites W2013183108 @default.
- W2094397779 cites W2018439192 @default.
- W2094397779 cites W2026116629 @default.
- W2094397779 cites W2030976617 @default.
- W2094397779 cites W2045596260 @default.
- W2094397779 cites W2050729144 @default.
- W2094397779 cites W2054704030 @default.
- W2094397779 cites W2054960930 @default.
- W2094397779 cites W2057813447 @default.
- W2094397779 cites W2071220401 @default.
- W2094397779 cites W2073773252 @default.
- W2094397779 cites W2076059435 @default.
- W2094397779 cites W2081592476 @default.
- W2094397779 cites W2083222334 @default.
- W2094397779 cites W2086816786 @default.
- W2094397779 cites W2087585288 @default.
- W2094397779 cites W2089811178 @default.
- W2094397779 cites W2090585376 @default.
- W2094397779 cites W2091135029 @default.
- W2094397779 cites W2104198521 @default.
- W2094397779 cites W2109371230 @default.
- W2094397779 cites W2124130475 @default.
- W2094397779 cites W2141704677 @default.
- W2094397779 cites W2151800339 @default.
- W2094397779 cites W2230728100 @default.
- W2094397779 cites W2990280590 @default.
- W2094397779 doi "https://doi.org/10.1103/physrevb.80.165411" @default.
- W2094397779 hasPublicationYear "2009" @default.
- W2094397779 type Work @default.
- W2094397779 sameAs 2094397779 @default.
- W2094397779 citedByCount "72" @default.
- W2094397779 countsByYear W20943977792012 @default.
- W2094397779 countsByYear W20943977792013 @default.
- W2094397779 countsByYear W20943977792014 @default.
- W2094397779 countsByYear W20943977792015 @default.
- W2094397779 countsByYear W20943977792016 @default.
- W2094397779 countsByYear W20943977792017 @default.
- W2094397779 countsByYear W20943977792018 @default.
- W2094397779 countsByYear W20943977792019 @default.
- W2094397779 countsByYear W20943977792020 @default.
- W2094397779 countsByYear W20943977792021 @default.
- W2094397779 countsByYear W20943977792022 @default.
- W2094397779 countsByYear W20943977792023 @default.
- W2094397779 crossrefType "journal-article" @default.
- W2094397779 hasAuthorship W2094397779A5035293042 @default.
- W2094397779 hasAuthorship W2094397779A5049978464 @default.
- W2094397779 hasAuthorship W2094397779A5050292608 @default.
- W2094397779 hasAuthorship W2094397779A5057695281 @default.
- W2094397779 hasConcept C112675119 @default.
- W2094397779 hasConcept C113740112 @default.
- W2094397779 hasConcept C113843644 @default.
- W2094397779 hasConcept C119857082 @default.
- W2094397779 hasConcept C120665830 @default.
- W2094397779 hasConcept C121332964 @default.
- W2094397779 hasConcept C13280743 @default.
- W2094397779 hasConcept C135115559 @default.
- W2094397779 hasConcept C14036430 @default.
- W2094397779 hasConcept C173523689 @default.
- W2094397779 hasConcept C182310444 @default.
- W2094397779 hasConcept C185798385 @default.
- W2094397779 hasConcept C205649164 @default.
- W2094397779 hasConcept C2524010 @default.
- W2094397779 hasConcept C2776799497 @default.
- W2094397779 hasConcept C30475298 @default.
- W2094397779 hasConcept C33923547 @default.
- W2094397779 hasConcept C41008148 @default.
- W2094397779 hasConcept C52765159 @default.
- W2094397779 hasConcept C55352822 @default.
- W2094397779 hasConcept C62520636 @default.
- W2094397779 hasConcept C78458016 @default.
- W2094397779 hasConcept C8058405 @default.
- W2094397779 hasConcept C86803240 @default.
- W2094397779 hasConcept C8892853 @default.
- W2094397779 hasConcept C97256817 @default.
- W2094397779 hasConceptScore W2094397779C112675119 @default.