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An algebraic approach applied to the determination of the polarizability in CO_2

机译:应用于CO_2中偏热性的代数方法

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A local algebraic approach to describe vibrational excitations of molecules presenting both local and normal mode behaviors is presented. This approach allows the connection with configuration space to be established. The model consists in expanding the kinetic energy as well as the potential in terms of coordinates and momenta. An algebraic representation is obtained by introducing creation and destruction bosonic operators associated with the harmonic oscillators. From the resulting Hamiltonian a local algebraic representation is obtained through a canonical transformation to local bosonic operators. Finally an anharmonization is carried out by changing the local bosonic operators to ladder operators associated with the Morse or Poschl-Teller functions. Since the model is connected with configuration space, non linear curvilinear coordinates are contemplated. Our model is applied to the vibrational spectroscopic description of the ~(12)C~(16)O_2 molecule. The eigenstates are tested by calculating the derivatives for the polarizability for this molecule.
机译:提出了一种描述呈现局部和正常模式行为的分子振动激发的本地代数方法。这种方法允许建立与配置空间的连接。该模型包括扩大动能以及坐标和动量方面的潜力。通过引入与谐波振荡器相关联的创建和破坏振荡器算子来获得代数表示。从所产生的汉密尔顿时,通过规范转换对局部振阳算子来获得本地代数表示。最后,通过将本地振动运算符更改为与莫尔斯特或POSCHL-TEALER功能相关联的梯形运算符来执行anharmonization。由于该模型与配置空间连接,因此可以预期非线性曲线坐标。我们的模型应用于〜(12)C〜(16)O_2分子的振动光谱描述。通过计算该分子的极化性的衍生物来测试特征酯。

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