Complete pure vibrational spectrum of HD calculated without the Born-Oppenheimer approximation and including relativistic corrections

Simple item page
dc.contributor.authorBubin, Sergiy
dc.contributor.authorStanke, Monika
dc.contributor.authorAdamowicz, Ludwik
dc.date.accessioned2016-01-29T03:58:16Z
dc.date.available2016-01-29T03:58:16Z
dc.date.issued2011
dc.description.abstractAll 18 bound pure vibrational levels of the HD molecule have been calculated within the framework that does not assume the Born-Oppenheimer (BO) approximation. The nonrelativistic energies of the states have been corrected for the relativistic effects of the order of α2 (where α is the fine structure constant), calculated using the perturbation theory with the nonrelativistic non-BO wave functions being the zero-order approximation. The calculations were performed by expanding the non-BO wave functions in terms of one-center explicitly correlated Gaussian functions multiplied by even powers of the internuclear distance and by performing extensive optimization of the Gaussian nonlinear parameters. Up to 10 000 basis functions were used for each stateru_RU
dc.identifier.citationSergiy Bubin, Monika Stanke, Ludwik Adamowicz; 2011; Complete pure vibrational spectrum of HD calculated without the Born-Oppenheimer approximation and including relativistic corrections; PHYSICAL REVIEW Aru_RU
dc.identifier.urihttp://nur.nu.edu.kz/handle/123456789/1082
dc.language.isoenru_RU
dc.rightsAttribution-NonCommercial-ShareAlike 3.0 United States*
dc.rights.urihttp://creativecommons.org/licenses/by-nc-sa/3.0/us/*
dc.subjectResearch Subject Categories::NATURAL SCIENCES::Physicsru_RU
dc.subjectHD moleculeru_RU
dc.subjectBorn-Oppenheimer approximationru_RU
dc.titleComplete pure vibrational spectrum of HD calculated without the Born-Oppenheimer approximation and including relativistic correctionsru_RU
dc.typeArticleru_RU

Files

Original bundle
Now showing 1 - 1 of 1
No Thumbnail Available
Name:
bubin_pra_83_042520_2011.pdf
Size:
106.5 KB
Format:
Adobe Portable Document Format
Description:
Download
License bundle
Now showing 1 - 1 of 1
No Thumbnail Available
Name:
license.txt
Size:
6.35 KB
Format:
Item-specific license agreed upon to submission
Description:
Download

Collections

Articles