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三元硼环,碳环和氮环比较的从头算研究
引用本文:张严,张桂玲.三元硼环,碳环和氮环比较的从头算研究[J].哈尔滨师范大学自然科学学报,1998,14(5):52-56.
作者姓名:张严  张桂玲
作者单位:哈尔滨师范大学
摘    要:用量子化学从头算方法,在4-31G基组水平上,对D3h对称性的三元硼环、碳环和氮环进行了几何优化计算.由所得结果讨论了分子的成键情况,对两类环(一类是C3H3,N3,N3H3和B3H3,另一类是C3H+3,N+3和B+3)的稳定性分别作了比较.结果表明,环外氢有利于环的稳定,而环上孤对电子则不利于环的稳定.还讨论了多电子原子N和缺电子原子B在成环稳定性方面的差异.

关 键 词:三元环  从头算  稳定性  硼环  碳环  氮环

EIGENSTATES OF ANNIHILATION OPERATOR b 4 - OF A NON-HARMONIC OSCILLATOR AND THEIR PROPERTIES
Xie Hongwei.EIGENSTATES OF ANNIHILATION OPERATOR b 4 - OF A NON-HARMONIC OSCILLATOR AND THEIR PROPERTIES[J].Natural Science Journal of Harbin Normal University,1998,14(5):52-56.
Authors:Xie Hongwei
Institution:Xie Hongwei (Heilongjiang College of Eduction .)Qian Yan (Harbin College.)Zhang Xueru (Harbin Institute of Technology.)Ma Aiqun (Harbin College)
Abstract:In this paper, a method for constructing orthonormalized eigenstates of annihilation operator b 4 - of a non-harmonic oscillator is presented. The states are minimum uncertainty states of 4 n order power of light field amplitude and have no squeezing properties.Antibunching effects of the states are studied.
Keywords:Non-harmonic oscillator  Annihilation operator  Eigenstates
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