排序方式: 共有17条查询结果,搜索用时 15 毫秒
11.
We study the adiabatic dark-state evolutions in coherent creations of heteronuclear diatomic or triatomic molecules from an ultracold two-species atomic condensate. We find that, for different nonlinear systems, the relations between the adiabatic fidelities and the adiabatic parameters are in a universal power law but with quite different parameters. 相似文献
12.
AlN,GaN和InN分子基态的结构和解析势能函数(英文) 总被引:1,自引:1,他引:0
采用密度泛函理论的B3LYP/6-311+G(3df)方法优化计算了A1N,GaN和InN分子基态的平衡结构、振动频率和离解能.根据原子分子反应静力学原理,导出了A1N,GaN和InN分子的合理离解极限,利用Murrell-Sorbie势能函数和从头算结果得到基态相应的解析势能函数并由光谱数据和解析势能函数的关系计算了基态的光谱数据(α_e,B_e,ω_e和ω_ex_e),计算结果与实验数据符合得相当好. 相似文献
13.
14.
Efimov Superchemistry: Quantum Dynamical Theory for Coherent Atom-Trimer Conversion in a Repulsive Atomic Bose-Einstein Condensate 下载免费PDF全文
We show that by making a generalized atom-molecule dark state, coherent creation of triatomic molecules can be enhanced in a repulsive atomic Bose-Einstein condensate. The dynamics of heteronuclear trimer creation is significantly different from the homonuclear case and further enhancement can be realized by controlling its chemical reaction channels. The possibility of manipulating atom-trimer conversion provides an appealing research area for current coherent matter-wave optics. 相似文献
15.
Structure and analytical potential energy function for the ground state of the BCx (x=0, -1) 下载免费PDF全文
In this paper, the electronic states of the ground states and dissociation limits of BC and BC- are correctly determined based on group theory and atomic and molecular reaction statics. The equilibrium geometries, harmonic frequencies and dissociation energies of the ground state of BC and BC- are calculated by using density function theory and quadratic CI method including single and double substitutions. The analytical potential energy functions of these states have been fitted with Murrell-Sorbie potential energy function from our ab initio calculation results. The spectroscopic data (αe, ωe and ωeχe) of each state is calculated via the relation between analytical potential energy function and spectroscopic data. All the calculations are in good agreement with the experimental data. 相似文献
16.
采用abinitio从头计算方法在不同基组水平上对二氟乙烯异构体几何构型、谐振频率作了理论计算,计算结果与实验结果符合得很好,并且在优化几何构型的基础上,用MP4SDTQ方法对稳定构型单点能和前沿轨道能隙作了理论计算,结果发现计算所得的两种构型分子电子总能量的相对次序为顺式<反式,与实验测得的相对稳定性次序一致,并通过Mulliken布居数分析考察了该构型分子顺式效应的内在原因. 相似文献
17.