Загрузка...

Hydrogen quantum effects in hydride LaNi(5)H(7)

Energy eigenvalues and wave functions of hydrogen atoms in hydride LaNi(5)H(7) are calculated. First-principles electronic structure calculations are employed to obtain the three-dimensional potential energy structure of each hydrogen site. These quantum effects are not negligibly small in evaluatio...

Полное описание

Сохранить в:
Библиографические подробности
Главные авторы: Kaneko, Tomoaki, Tezuka, Akinori, Ogawa, Hiroshi, Ikeshoji, Tamio
Формат: Artigo
Язык:Inglês
Опубликовано: American Institute of Physics 2011
Предметы:
Online-ссылка:https://ncbi.nlm.nih.gov/pmc/articles/PMC3203120/
https://ncbi.nlm.nih.gov/pubmed/22065890
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3642942
Метки: Добавить метку
Нет меток, Требуется 1-ая метка записи!