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个人信息Personal Information
教授
博士生导师
硕士生导师
主要任职：物理学院副院长
性别：男
毕业院校：大连理工大学
学位：博士
所在单位：物理学院
学科：原子与分子物理
办公地点：物理系316房间
电子邮箱：ychan@dlut.edu.cn
The "bound wavefunction" on the repulsive excited (2)Sigma(+)(u) (2p sigma(u)) state of the HD+ molecule
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论文类型：期刊论文
发表时间：2017-08-05
发表刊物：INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
收录刊物：SCIE、EI、Scopus
卷号：117
期号：15
ISSN号：0020-7608
关键字：Born-Oppenheimer approximation; nonadiabatic interaction; the HD+ molecule; vibrational eigenstate
摘要：The time-independent Schrodinger equation for the HD+ molecule is solved beyond the Born-Oppenheimer (B-O) approximation. In the adiabatic representation, the wavefunction of the ground vibrational eigenstate is found to contain two parts: One is on the ground 2 Sigma(+)(g) (1s sigma(g)) state which is dominant, and the other is on the repulsive excited (2)Sigma(+)(u) (2p sigma(u)) state in the range from R = 0.0 to R = 5.0 Bohr. This is because the nonadiabatic coupling between the ground (2)Sigma(+)(g) (1s sigma(g)) and excited 2 Sigma(+)(u) (2p sigma(u)) states is strong in that region. The influences of the nonadiabatic coupling on the vibrational eigenfunctions are discussed in detail.