惰性元素三分子团结构的研究

Study of Structures of Inert Element Three-molecule Clasters

关键词:  惰性元素  三分子团结构  少体方法

Key words:  inert element  structure of three-molecule claster  few-body method

摘要:

用谐振子波函数展开法计算了惰性元素三分子团Ne₃和Ar₃的低能束缚态能级、波函数和结构,比较了三种不同形式的两体相互作用势对三原子分子团Ar₃低能态的能级、波函数及结构的影响.同时给出一种用谐振子波函数构造全对称正交归一基矢的方法,并把它作为惰性元素三分子团Ar₃、Kr₃、Xe₃内部运动试探波函数的展开基矢计算了它们的能级和波函数,最后用形状密度分析法分析了这些分子团在总角动量为零的低激发能态(0⁺态)的结构.

Abstract:

The energy level, structures of inert molecule trimers Ne₃ and Ar₃ were calculated using the harmonic oscillator product state expansion method. Three kinds of pair-wise potential for Ar-Ar were employed in investigating its influence on energy levels, structure of Ar trimer. Meanwhile, a simple method, which constructed the independent and orthonormal basis of the spatial wave function of the three bosonic identical particles, was proposed. This basis was used as the expanded basis of trival wavefunction of the molecule trimer Ar₃, Kr₃ and Xe₃ in calcuating wavefunctions and energy levels. The structure in low -lying energy states with zero total angular momentum were analysed using shape-density method.