Abstract
Calculations were carried out for the heteronuclear diatomic systems HeH++, LiH3+, HBe4+, HeLi4+, HeBe5+, LiBe6+, LiB7+ in the 1sσ and 2pπ unstable states with one-center one-electron analytic trial wave functions. The total energy values, as a function of the internuclear distanceR, are improved by the variation of the center of the wave function.
Резюме
Проводятся вычисления для гетероядерных двухатомных систем HeH++, LiH3+, HBe4+, HeLi4+, HeBe5+, LiBe6+, LiB7+ в неустойчивых состояниях 1sσ и 2pπ с помощью одноцентровых одноэлектронных аналитических пробных волновых функций. Значения полной энергии — как функция междуядерного расстоянияR-улучшались варьировнием сосредоточивания волновой функции.
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Tamássy-Lentei, I. Potential curves for one-electron heteronuclear diatomic systems in one-center treatment. Acta Physica 29, 67–74 (1970). https://doi.org/10.1007/BF03157885
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DOI: https://doi.org/10.1007/BF03157885