FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2032083675> ?p ?o ?g. }

• W2032083675 endingPage "185501" @default.
• W2032083675 startingPage "185501" @default.
• W2032083675 abstract "We present a rigorous derivation of a real-space full-potential multiple scattering theory (FP-MST) that is free from the drawbacks that up to now have impaired its development (in particular the need to expand cell shape functions in spherical harmonics and rectangular matrices), valid both for continuum and bound states, under conditions for space partitioning that are not excessively restrictive and easily implemented. In this connection we give a new scheme to generate local basis functions for the truncated potential cells that is simple, fast, efficient, valid for any shape of the cell and reduces to the minimum the number of spherical harmonics in the expansion of the scattering wavefunction. The method also avoids the need for saturating 'internal sums' due to the re-expansion of the spherical Hankel functions around another point in space (usually another cell center). Thus this approach provides a straightforward extension of MST in the muffin-tin (MT) approximation, with only one truncation parameter given by the classical relation l(max) = kR(b), where k is the electron wavevector (either in the excited or ground state of the system under consideration) and R(b) is the radius of the bounding sphere of the scattering cell. Moreover, the scattering path operator of the theory can be found in terms of an absolutely convergent procedure in the l(max) --> ∞ limit. Consequently, this feature provides a firm ground for the use of FP-MST as a viable method for electronic structure calculations and makes possible the computation of x-ray spectroscopies, notably photo-electron diffraction, absorption and anomalous scattering among others, with the ease and versatility of the corresponding MT theory. Some numerical applications of the theory are presented, both for continuum and bound states." @default.
• W2032083675 created "2016-06-24" @default.
• W2032083675 creator A5046159756 @default.
• W2032083675 creator A5064091956 @default.
• W2032083675 creator A5078261717 @default.
• W2032083675 creator A5078640990 @default.
• W2032083675 date "2010-04-15" @default.
• W2032083675 modified "2023-09-30" @default.
• W2032083675 title "Full-potential multiple scattering theory with space-filling cells for bound and continuum states" @default.
• W2032083675 cites W1517708868 @default.
• W2032083675 cites W1883591926 @default.
• W2032083675 cites W1967004662 @default.
• W2032083675 cites W1971821930 @default.
• W2032083675 cites W1978600268 @default.
• W2032083675 cites W1979818295 @default.
• W2032083675 cites W1985583109 @default.
• W2032083675 cites W1985679150 @default.
• W2032083675 cites W1988565431 @default.
• W2032083675 cites W1989036387 @default.
• W2032083675 cites W1992086733 @default.
• W2032083675 cites W1998513377 @default.
• W2032083675 cites W2008669269 @default.
• W2032083675 cites W2013582041 @default.
• W2032083675 cites W2014315118 @default.
• W2032083675 cites W2014967992 @default.
• W2032083675 cites W2015903283 @default.
• W2032083675 cites W2018367513 @default.
• W2032083675 cites W2020710892 @default.
• W2032083675 cites W2021823826 @default.
• W2032083675 cites W2028155511 @default.
• W2032083675 cites W2042544946 @default.
• W2032083675 cites W2043755987 @default.
• W2032083675 cites W2052898814 @default.
• W2032083675 cites W2057291532 @default.
• W2032083675 cites W2074406273 @default.
• W2032083675 cites W2077330152 @default.
• W2032083675 cites W2077998819 @default.
• W2032083675 cites W2090765533 @default.
• W2032083675 cites W2090838661 @default.
• W2032083675 cites W2121431463 @default.
• W2032083675 cites W2151318145 @default.
• W2032083675 cites W4205134872 @default.
• W2032083675 cites W4237239271 @default.
• W2032083675 cites W4240067602 @default.
• W2032083675 doi "https://doi.org/10.1088/0953-8984/22/18/185501" @default.
• W2032083675 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/21393686" @default.
• W2032083675 hasPublicationYear "2010" @default.
• W2032083675 type Work @default.
• W2032083675 sameAs 2032083675 @default.
• W2032083675 citedByCount "37" @default.
• W2032083675 countsByYear W20320836752012 @default.
• W2032083675 countsByYear W20320836752013 @default.
• W2032083675 countsByYear W20320836752014 @default.
• W2032083675 countsByYear W20320836752015 @default.
• W2032083675 countsByYear W20320836752016 @default.
• W2032083675 countsByYear W20320836752017 @default.
• W2032083675 countsByYear W20320836752018 @default.
• W2032083675 countsByYear W20320836752019 @default.
• W2032083675 countsByYear W20320836752020 @default.
• W2032083675 countsByYear W20320836752021 @default.
• W2032083675 countsByYear W20320836752022 @default.
• W2032083675 crossrefType "journal-article" @default.
• W2032083675 hasAuthorship W2032083675A5046159756 @default.
• W2032083675 hasAuthorship W2032083675A5064091956 @default.
• W2032083675 hasAuthorship W2032083675A5078261717 @default.
• W2032083675 hasAuthorship W2032083675A5078640990 @default.
• W2032083675 hasBestOaLocation W20320836752 @default.
• W2032083675 hasConcept C113603373 @default.
• W2032083675 hasConcept C121332964 @default.
• W2032083675 hasConcept C126412783 @default.
• W2032083675 hasConcept C134306372 @default.
• W2032083675 hasConcept C153013531 @default.
• W2032083675 hasConcept C174084160 @default.
• W2032083675 hasConcept C191486275 @default.
• W2032083675 hasConcept C33923547 @default.
• W2032083675 hasConcept C3768446 @default.
• W2032083675 hasConcept C62520636 @default.
• W2032083675 hasConcept C67105901 @default.
• W2032083675 hasConceptScore W2032083675C113603373 @default.
• W2032083675 hasConceptScore W2032083675C121332964 @default.
• W2032083675 hasConceptScore W2032083675C126412783 @default.
• W2032083675 hasConceptScore W2032083675C134306372 @default.
• W2032083675 hasConceptScore W2032083675C153013531 @default.
• W2032083675 hasConceptScore W2032083675C174084160 @default.
• W2032083675 hasConceptScore W2032083675C191486275 @default.
• W2032083675 hasConceptScore W2032083675C33923547 @default.
• W2032083675 hasConceptScore W2032083675C3768446 @default.
• W2032083675 hasConceptScore W2032083675C62520636 @default.
• W2032083675 hasConceptScore W2032083675C67105901 @default.
• W2032083675 hasIssue "18" @default.
• W2032083675 hasLocation W20320836751 @default.
• W2032083675 hasLocation W20320836752 @default.
• W2032083675 hasLocation W20320836753 @default.
• W2032083675 hasLocation W20320836754 @default.
• W2032083675 hasOpenAccess W2032083675 @default.
• W2032083675 hasPrimaryLocation W20320836751 @default.
• W2032083675 hasRelatedWork W1969108365 @default.
• W2032083675 hasRelatedWork W1976885242 @default.

• next