Non-Born–Oppenheimer study of positronic molecular systems: e¿LiH

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dc.contributor.authorBubin, Sergiy
dc.contributor.authorAdamowicz, Ludwik
dc.date.accessioned2016-01-27T05:58:24Z
dc.date.available2016-01-27T05:58:24Z
dc.date.issued2004
dc.description.abstractVery accurate non-Born–Oppenheimer variational calculations of the ground state of e1LiH have been performed using explicitly correlated Gaussian functions with preexponential factors dependent on powers of the internuclear distance. In order to determine the positron detachment energy of e1LiH and the dissociation energy corresponding to the e1LiH fragmentation into HPs and Li1 we also calculated non-BO energies of HPs, LiH, and Li1. For all the systems the calculations provided the lowest ever-reported variational upper-bounds to the ground state energies. Annihilation rates of HPs and e1LiH were also computed. The dissociation energy of e1LiH into HPs and Li1 was determined to be 0.036 548 hartreeru_RU
dc.identifier.citationSergiy Bubin, Ludwik Adamowicz; 2004; Non-Born–Oppenheimer study of positronic molecular systems: e¿LiH; JOURNAL OF CHEMICAL PHYSICSru_RU
dc.identifier.urihttp://nur.nu.edu.kz/handle/123456789/1048
dc.language.isoenru_RU
dc.subjectResearch Subject Categories::NATURAL SCIENCES::Physicsru_RU
dc.subjectNon-Born–Oppenheimer studyru_RU
dc.subjectpositronic molecular systemsru_RU
dc.titleNon-Born–Oppenheimer study of positronic molecular systems: e¿LiHru_RU
dc.typeArticleru_RU

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