Matches in SemOpenAlex for { <https://semopenalex.org/work/W2020638055> ?p ?o ?g. }
Showing items 1 to 73 of
73
with 100 items per page.
- W2020638055 endingPage "9404" @default.
- W2020638055 startingPage "9399" @default.
- W2020638055 abstract "Classical trajectory calculations for a triatomic, complex forming system are used to assess the effectivity (correctness at given computational expense) of new, symplectic integrators of sixth and fourth orders (S6 and S4) compared to a traditional predictor−corrector scheme of sixth order (G). With respect to energy conservation and positional error, S6 is two to three orders better than G, while S4 is no improvement. However, comparison with quadruple precision calculations shows that even with S6 the correct computation in double precision arithmetic is limited to trajectory lifetimes of about 25 typical molecular vibrations. Moreover, in contrast to common assumptions, even energy conservation to 10-12 does not guarantee that the trajectory is correct, or even that it reaches the correct reaction channel." @default.
- W2020638055 created "2016-06-24" @default.
- W2020638055 creator A5007807649 @default.
- W2020638055 creator A5076332857 @default.
- W2020638055 date "1998-07-29" @default.
- W2020638055 modified "2023-09-24" @default.
- W2020638055 title "Symplectic Integration of Classical Trajectories: A Case Study" @default.
- W2020638055 cites W1969114691 @default.
- W2020638055 cites W2000896591 @default.
- W2020638055 cites W2011911642 @default.
- W2020638055 cites W2019108575 @default.
- W2020638055 cites W2024146357 @default.
- W2020638055 cites W2024487663 @default.
- W2020638055 cites W2037254051 @default.
- W2020638055 cites W2042540288 @default.
- W2020638055 cites W2055660856 @default.
- W2020638055 cites W2058486250 @default.
- W2020638055 cites W2060333466 @default.
- W2020638055 cites W2084367325 @default.
- W2020638055 cites W2084471213 @default.
- W2020638055 cites W2092391430 @default.
- W2020638055 cites W2163257413 @default.
- W2020638055 cites W2176848756 @default.
- W2020638055 doi "https://doi.org/10.1021/jp981664m" @default.
- W2020638055 hasPublicationYear "1998" @default.
- W2020638055 type Work @default.
- W2020638055 sameAs 2020638055 @default.
- W2020638055 citedByCount "63" @default.
- W2020638055 countsByYear W20206380552012 @default.
- W2020638055 countsByYear W20206380552013 @default.
- W2020638055 countsByYear W20206380552014 @default.
- W2020638055 countsByYear W20206380552015 @default.
- W2020638055 countsByYear W20206380552016 @default.
- W2020638055 countsByYear W20206380552017 @default.
- W2020638055 countsByYear W20206380552018 @default.
- W2020638055 countsByYear W20206380552019 @default.
- W2020638055 countsByYear W20206380552020 @default.
- W2020638055 countsByYear W20206380552021 @default.
- W2020638055 countsByYear W20206380552023 @default.
- W2020638055 crossrefType "journal-article" @default.
- W2020638055 hasAuthorship W2020638055A5007807649 @default.
- W2020638055 hasAuthorship W2020638055A5076332857 @default.
- W2020638055 hasConcept C147597530 @default.
- W2020638055 hasConcept C168619227 @default.
- W2020638055 hasConcept C185592680 @default.
- W2020638055 hasConcept C202444582 @default.
- W2020638055 hasConcept C33923547 @default.
- W2020638055 hasConceptScore W2020638055C147597530 @default.
- W2020638055 hasConceptScore W2020638055C168619227 @default.
- W2020638055 hasConceptScore W2020638055C185592680 @default.
- W2020638055 hasConceptScore W2020638055C202444582 @default.
- W2020638055 hasConceptScore W2020638055C33923547 @default.
- W2020638055 hasIssue "47" @default.
- W2020638055 hasLocation W20206380551 @default.
- W2020638055 hasOpenAccess W2020638055 @default.
- W2020638055 hasPrimaryLocation W20206380551 @default.
- W2020638055 hasRelatedWork W1969116739 @default.
- W2020638055 hasRelatedWork W2033589463 @default.
- W2020638055 hasRelatedWork W2052725305 @default.
- W2020638055 hasRelatedWork W2057640882 @default.
- W2020638055 hasRelatedWork W2333189709 @default.
- W2020638055 hasRelatedWork W2944657810 @default.
- W2020638055 hasRelatedWork W2951375394 @default.
- W2020638055 hasRelatedWork W2953261074 @default.
- W2020638055 hasRelatedWork W4250311452 @default.
- W2020638055 hasRelatedWork W2510219280 @default.
- W2020638055 hasVolume "102" @default.
- W2020638055 isParatext "false" @default.
- W2020638055 isRetracted "false" @default.
- W2020638055 magId "2020638055" @default.
- W2020638055 workType "article" @default.