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非简谐谐振子湮灭算符四次幂的本征态和性质

AB INITIO CACULATION STUDIES ON COMPARINGOF THREE-MEMBERED BORON RINGS,CARBON RINGS AND NITROGEN RINGS
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摘要 本文给出了非简谐谐振子湮灭算符四次幂的正交归一本征态,并研究了它的N次方压缩和反群聚效应. Ab initio calculations were carried out at the 4-31G basis set level for the geometry optimization of three-membered rings. Relative stabilities of these rings were compared from the calculation results. It was indicated that exo-hydrogen will stabilize the ring, while lone pair of electrons will destabilize the ring. The effects of electron-rich and electron-poor on ring stabilities were also discussed.
出处 《哈尔滨师范大学自然科学学报》 CAS 1998年第5期57-60,共4页 Natural Science Journal of Harbin Normal University
关键词 非简谐谐振子 湮灭算符 本征态 哈密顿算符 Three-membered ring Ab initio calculation Ring stability
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