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pro vyhledávání: '"Y.-S Mark Wu"'
Autor:
Aron Kuppermann, Y.-S Mark Wu
Publikováno v:
Chemical Physics Letters. 349:537-546
It has recently been argued that the geometric phase (GP) effect is not important for the differential cross-sections (DCSs) of the H+D 2 reaction at E tot =1.481 eV , in sharp contrast with previous calculations. It is shown here that this argument
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::efa7223564209fb5ef89fbd43ca8f432
https://doi.org/10.1016/s0009-2614(01)01210-6
https://doi.org/10.1016/s0009-2614(01)01210-6
An exact quantum Monte Carlo (EQMC) method was used to calculate the potential energy surface (PES) for the ground electronic state of H3 over a grid of about 76000 nuclear geometries. The absolute abinitio statistical or sampling error of the calcul
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6c2ae4b71a57f952c3a319e40221735f
https://resolver.caltech.edu/CaltechAUTHORS:WUYpccp99
https://resolver.caltech.edu/CaltechAUTHORS:WUYpccp99
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