Matches in SemOpenAlex for { <https://semopenalex.org/work/W3215511131> ?p ?o ?g. }
- W3215511131 endingPage "139241" @default.
- W3215511131 startingPage "139241" @default.
- W3215511131 abstract "In this work, we present the efficient combination of Smolyak representations with time independent quantum mechanical approach using absorbing boundary conditions for the cumulative reaction probability calculations of a multidimensional reactive scattering problem. Our approach uses both kinds of Smolyak representations (finite basis and grid) which drastically reduces the size of the basis representation for the cumulative reaction operator. The cumulative reaction probability is thus obtained by solving the eigenvalue problem within the context of reaction path Hamiltonian using the compact Smolyak basis combined with an iterative Lanczos algorithm. Benchmark calculations are presented for reactive scattering models with a linear reaction coordinate and applied to a 25D model highlighting the efficiency of the present approach for multidimensional reactive processes." @default.
- W3215511131 created "2021-12-06" @default.
- W3215511131 creator A5001379060 @default.
- W3215511131 creator A5004008411 @default.
- W3215511131 creator A5033734569 @default.
- W3215511131 date "2022-01-01" @default.
- W3215511131 modified "2023-09-23" @default.
- W3215511131 title "Smolyak representations with absorbing boundary conditions for reaction path Hamiltonian model of reactive scattering" @default.
- W3215511131 cites W1506690472 @default.
- W3215511131 cites W1536968179 @default.
- W3215511131 cites W1964077485 @default.
- W3215511131 cites W1966702069 @default.
- W3215511131 cites W1980952787 @default.
- W3215511131 cites W1984722633 @default.
- W3215511131 cites W1984850442 @default.
- W3215511131 cites W1986865449 @default.
- W3215511131 cites W1987326884 @default.
- W3215511131 cites W1988689259 @default.
- W3215511131 cites W1991503789 @default.
- W3215511131 cites W1999035781 @default.
- W3215511131 cites W2006941678 @default.
- W3215511131 cites W2015659061 @default.
- W3215511131 cites W2023160272 @default.
- W3215511131 cites W2026253722 @default.
- W3215511131 cites W2034649015 @default.
- W3215511131 cites W2035196826 @default.
- W3215511131 cites W2046330442 @default.
- W3215511131 cites W2052830009 @default.
- W3215511131 cites W2073861303 @default.
- W3215511131 cites W2082647258 @default.
- W3215511131 cites W2083021440 @default.
- W3215511131 cites W2088900677 @default.
- W3215511131 cites W2095407132 @default.
- W3215511131 cites W2127864647 @default.
- W3215511131 cites W2165180793 @default.
- W3215511131 cites W2320068643 @default.
- W3215511131 cites W2401320405 @default.
- W3215511131 cites W2566474134 @default.
- W3215511131 cites W2797248280 @default.
- W3215511131 cites W2803247036 @default.
- W3215511131 cites W2803320672 @default.
- W3215511131 cites W2889629240 @default.
- W3215511131 cites W2937914987 @default.
- W3215511131 cites W2977286158 @default.
- W3215511131 cites W3098528979 @default.
- W3215511131 cites W3099199705 @default.
- W3215511131 cites W3100684542 @default.
- W3215511131 cites W4244848829 @default.
- W3215511131 doi "https://doi.org/10.1016/j.cplett.2021.139241" @default.
- W3215511131 hasPublicationYear "2022" @default.
- W3215511131 type Work @default.
- W3215511131 sameAs 3215511131 @default.
- W3215511131 citedByCount "2" @default.
- W3215511131 countsByYear W32155111312022 @default.
- W3215511131 countsByYear W32155111312023 @default.
- W3215511131 crossrefType "journal-article" @default.
- W3215511131 hasAuthorship W3215511131A5001379060 @default.
- W3215511131 hasAuthorship W3215511131A5004008411 @default.
- W3215511131 hasAuthorship W3215511131A5033734569 @default.
- W3215511131 hasConcept C119256216 @default.
- W3215511131 hasConcept C121332964 @default.
- W3215511131 hasConcept C121864883 @default.
- W3215511131 hasConcept C126255220 @default.
- W3215511131 hasConcept C130787639 @default.
- W3215511131 hasConcept C134306372 @default.
- W3215511131 hasConcept C158693339 @default.
- W3215511131 hasConcept C182310444 @default.
- W3215511131 hasConcept C191486275 @default.
- W3215511131 hasConcept C28826006 @default.
- W3215511131 hasConcept C33923547 @default.
- W3215511131 hasConcept C5917680 @default.
- W3215511131 hasConcept C62520636 @default.
- W3215511131 hasConceptScore W3215511131C119256216 @default.
- W3215511131 hasConceptScore W3215511131C121332964 @default.
- W3215511131 hasConceptScore W3215511131C121864883 @default.
- W3215511131 hasConceptScore W3215511131C126255220 @default.
- W3215511131 hasConceptScore W3215511131C130787639 @default.
- W3215511131 hasConceptScore W3215511131C134306372 @default.
- W3215511131 hasConceptScore W3215511131C158693339 @default.
- W3215511131 hasConceptScore W3215511131C182310444 @default.
- W3215511131 hasConceptScore W3215511131C191486275 @default.
- W3215511131 hasConceptScore W3215511131C28826006 @default.
- W3215511131 hasConceptScore W3215511131C33923547 @default.
- W3215511131 hasConceptScore W3215511131C5917680 @default.
- W3215511131 hasConceptScore W3215511131C62520636 @default.
- W3215511131 hasFunder F4320320883 @default.
- W3215511131 hasLocation W32155111311 @default.
- W3215511131 hasLocation W32155111312 @default.
- W3215511131 hasLocation W32155111313 @default.
- W3215511131 hasOpenAccess W3215511131 @default.
- W3215511131 hasPrimaryLocation W32155111311 @default.
- W3215511131 hasRelatedWork W1588783887 @default.
- W3215511131 hasRelatedWork W1968988636 @default.
- W3215511131 hasRelatedWork W1973379861 @default.
- W3215511131 hasRelatedWork W1990972291 @default.
- W3215511131 hasRelatedWork W2044376970 @default.
- W3215511131 hasRelatedWork W2099169296 @default.
- W3215511131 hasRelatedWork W2804140902 @default.