dc.contributor.author | Stanke, Monika | |
dc.contributor.author | Kedziera, Dariusz | |
dc.contributor.author | Bubin, Sergiy | |
dc.contributor.author | Adamowicz, Ludwik | |
dc.date.accessioned | 2016-02-01T03:15:04Z | |
dc.date.available | 2016-02-01T03:15:04Z | |
dc.date.issued | 2007 | |
dc.identifier.citation | Monika Stanke, Dariusz Ke¸dziera, Sergiy Bubin, Ludwik Adamowicz; 2007; Electron affinity of 7Li calculated with the inclusion of nuclear motion and relativistic corrections; THE JOURNAL OF CHEMICAL PHYSICS | ru_RU |
dc.identifier.uri | http://nur.nu.edu.kz/handle/123456789/1110 | |
dc.description.abstract | Explicitly correlated Gaussian functions have been used to perform very accurate variational calculations for the ground states of 7Li and 7Li−. The nuclear motion has been explicitly included in the calculations i.e., they have been done without assuming the Born-Oppenheimer BO approximation . An approach based on the analytical energy gradient calculated with respect to the Gaussian exponential parameters was employed. This led to a noticeable improvement of the previously determined variational upper bound to the nonrelativistic energy of Li−. The Li energy obtained in the calculations matches those of the most accurate results obtained with Hylleraas functions. The finite-mass non-BO wave functions were used to calculate the 2 relativistic corrections =1/c . With those corrections and the 3 and 4 corrections taken from Pachucki and Komasa J. Chem. Phys. 125, 204304 2006 , the electron affinity EA of 7Li was determined. It agrees very well with the most recent experimental EA | ru_RU |
dc.language.iso | en | ru_RU |
dc.rights | Attribution-NonCommercial-ShareAlike 3.0 United States | * |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-sa/3.0/us/ | * |
dc.subject | Research Subject Categories::NATURAL SCIENCES::Physics | ru_RU |
dc.subject | variational calculations | ru_RU |
dc.title | Electron affinity of 7Li calculated with the inclusion of nuclear motion and relativistic corrections | ru_RU |
dc.type | Article | ru_RU |
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