【摘要】 通过求解构象Schrdinger方程证明,如果构象势能破坏C₂对称性,则构象振动态将局域于两个势能谷之一。只要不对称参数λ■10^-5。局域度就可达到10³的量级,文中也证明了局域度随着势能深度的变大而增加,讨论了能谱随λ的变化。并研究了振动激发导致构象变化的机制。更多还原

【Abstract】 Through the solution of the conformation Schrodinger equation, it is proved that, if C₂ symmetry of the conformation potential is broken, then the confermation vibration state will be localized in one of the two potential wells, when asymmetry parameter λ≈10^-5, the locality can reach to the order of 10³. It is also proved that, when potential depth increases, the locality will increase too. The changes of energy spectrum with λ are also discussed. The mechanism of vibration excitation causing the conformation transitions is studied too.更多还原