CF $_3$ CHFI生色团振动的代数模型分析
Analysis of an algebraic model for the chromophore vibrations of CF$_3$CHFI
摘要：
我们提取的动力学隐含在一个代数拟合模型哈密顿氢生色团的振动运动的分子$CF_3CHFI$。原始模型有4个自由度，三个位置和一个代表键间耦合。保守的polyad允许减少到3个自由度。对于大多数量子态，我们可以识别当量化时给出所述状态的潜在运动。大多数的分类，识别和分配是通过目视检查已经可用的波函数半经典地从数字表示转换到表示上的降维环形配置空间对应于经典的作用和角度变量。波函数密度向以理想化的简单低维组织结构为中心的低维子集的集中以及相位沿这种组织中心的行为已经揭示了原子运动。只需要很少的计算工作。
英文摘要：
We extract the dynamics implicit in an algebraic fitted model Hamiltonian for the hydrogen chromophore's vibrational motion in the molecule $CF_3CHFI$. The original model has 4 degrees of freedom, three positions and one representing interbond couplings. A conserved polyad allows the reduction to 3 degrees of freedom. For most quantum states we can identify the underlying motion that when quantized gives the said state. Most of the classifications, identifications and assignments are done by visual inspection of the already available wave function semiclassically transformed from the number representation to a representation on the reduced dimension toroidal configuration space corresponding to the classical action and angle variables. The concentration of the wave function density to lower dimensional subsets centered on idealized simple lower dimensional organizing structures and the behavior of the phase along such organizing centers already reveals the atomic motion. Extremely little computational work is needed.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
